USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 833 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 59 CYS SG : rot 180:sc= 0.0292 USER MOD Set 1.3: A 61 SER OG : rot 170:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -133:sc= 0 (180deg=-0.00422) USER MOD Single : A 2 GLN : amide:sc= -0.0665 K(o=-0.066,f=-1.9!) USER MOD Single : A 4 GLN : amide:sc= -0.743 K(o=-0.74,f=-2.8!) USER MOD Single : A 6 SER OG : rot 180:sc= -0.0815 USER MOD Single : A 7 ASN : amide:sc= -0.0945 K(o=-0.095,f=-1.5!) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.157 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -51:sc= 1.19 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc=-0.00201 USER MOD Single : A 24 HIS : no HD1:sc= -0.0784 X(o=-0.078,f=-0.042) USER MOD Single : A 25 SER OG : rot -44:sc= 0.949 USER MOD Single : A 26 LYS NZ :NH3+ -116:sc= -0.0862 (180deg=-0.744) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= -0.0959 USER MOD Single : A 39 THR OG1 : rot 32:sc= 0.48 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 ASN : amide:sc= -0.0242 K(o=-0.024,f=-0.74) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc=-0.00331 X(o=-0.0033,f=-0.0033) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.107) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -71:sc= 0.0379 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.423 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 37:sc= 0.34 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.958 15.143 -13.228 1.00 32.02 N ATOM 2 CA MET A 1 -1.071 13.693 -13.330 1.00 24.54 C ATOM 3 C MET A 1 -1.790 13.116 -12.115 1.00 61.34 C ATOM 4 O MET A 1 -1.211 12.348 -11.347 1.00 61.54 O ATOM 5 CB MET A 1 0.317 13.061 -13.463 1.00 2.21 C ATOM 6 CG MET A 1 0.910 13.184 -14.858 1.00 10.45 C ATOM 7 SD MET A 1 0.093 12.113 -16.056 1.00 21.14 S ATOM 8 CE MET A 1 1.331 10.835 -16.266 1.00 2.40 C ATOM 0 H1 MET A 1 -1.242 15.578 -14.129 1.00 32.02 H new ATOM 0 H2 MET A 1 -1.578 15.487 -12.467 1.00 32.02 H new ATOM 0 H3 MET A 1 0.027 15.400 -13.015 1.00 32.02 H new ATOM 0 HA MET A 1 -1.656 13.461 -14.220 1.00 24.54 H new ATOM 0 HB2 MET A 1 0.991 13.532 -12.748 1.00 2.21 H new ATOM 0 HB3 MET A 1 0.254 12.006 -13.196 1.00 2.21 H new ATOM 0 HG2 MET A 1 0.834 14.219 -15.191 1.00 10.45 H new ATOM 0 HG3 MET A 1 1.971 12.938 -14.821 1.00 10.45 H new ATOM 0 HE1 MET A 1 0.972 10.095 -16.981 1.00 2.40 H new ATOM 0 HE2 MET A 1 2.254 11.280 -16.637 1.00 2.40 H new ATOM 0 HE3 MET A 1 1.521 10.352 -15.308 1.00 2.40 H new ATOM 18 N GLN A 2 -3.053 13.492 -11.948 1.00 73.22 N ATOM 19 CA GLN A 2 -3.851 13.011 -10.825 1.00 71.42 C ATOM 20 C GLN A 2 -5.058 12.218 -11.314 1.00 71.15 C ATOM 21 O GLN A 2 -6.202 12.578 -11.039 1.00 25.34 O ATOM 22 CB GLN A 2 -4.313 14.186 -9.961 1.00 22.53 C ATOM 23 CG GLN A 2 -3.169 15.014 -9.399 1.00 34.12 C ATOM 24 CD GLN A 2 -3.600 16.416 -9.012 1.00 64.34 C ATOM 25 OE1 GLN A 2 -4.706 16.849 -9.337 1.00 5.43 O ATOM 26 NE2 GLN A 2 -2.725 17.133 -8.317 1.00 71.20 N ATOM 0 H GLN A 2 -3.546 14.128 -12.575 1.00 73.22 H new ATOM 0 HA GLN A 2 -3.226 12.351 -10.224 1.00 71.42 H new ATOM 0 HB2 GLN A 2 -4.960 14.831 -10.556 1.00 22.53 H new ATOM 0 HB3 GLN A 2 -4.915 13.805 -9.136 1.00 22.53 H new ATOM 0 HG2 GLN A 2 -2.756 14.510 -8.525 1.00 34.12 H new ATOM 0 HG3 GLN A 2 -2.371 15.074 -10.139 1.00 34.12 H new ATOM 0 HE21 GLN A 2 -1.820 16.733 -8.070 1.00 71.20 H new ATOM 0 HE22 GLN A 2 -2.958 18.084 -8.030 1.00 71.20 H new ATOM 35 N GLU A 3 -4.795 11.137 -12.043 1.00 3.20 N ATOM 36 CA GLU A 3 -5.861 10.295 -12.572 1.00 41.13 C ATOM 37 C GLU A 3 -5.509 8.817 -12.427 1.00 12.54 C ATOM 38 O GLU A 3 -4.343 8.435 -12.513 1.00 3.34 O ATOM 39 CB GLU A 3 -6.120 10.626 -14.043 1.00 50.03 C ATOM 40 CG GLU A 3 -4.973 10.246 -14.964 1.00 74.44 C ATOM 41 CD GLU A 3 -5.270 10.548 -16.420 1.00 72.44 C ATOM 42 OE1 GLU A 3 -6.434 10.875 -16.733 1.00 62.50 O ATOM 43 OE2 GLU A 3 -4.339 10.457 -17.247 1.00 25.51 O ATOM 0 H GLU A 3 -3.853 10.825 -12.280 1.00 3.20 H new ATOM 0 HA GLU A 3 -6.765 10.494 -11.997 1.00 41.13 H new ATOM 0 HB2 GLU A 3 -7.023 10.110 -14.369 1.00 50.03 H new ATOM 0 HB3 GLU A 3 -6.312 11.695 -14.138 1.00 50.03 H new ATOM 0 HG2 GLU A 3 -4.075 10.784 -14.661 1.00 74.44 H new ATOM 0 HG3 GLU A 3 -4.760 9.183 -14.853 1.00 74.44 H new ATOM 50 N GLN A 4 -6.528 7.993 -12.203 1.00 62.24 N ATOM 51 CA GLN A 4 -6.326 6.557 -12.045 1.00 32.33 C ATOM 52 C GLN A 4 -7.199 5.774 -13.020 1.00 32.23 C ATOM 53 O GLN A 4 -8.191 6.290 -13.533 1.00 31.31 O ATOM 54 CB GLN A 4 -6.639 6.133 -10.608 1.00 43.11 C ATOM 55 CG GLN A 4 -8.088 6.357 -10.210 1.00 34.22 C ATOM 56 CD GLN A 4 -8.366 7.789 -9.799 1.00 12.45 C ATOM 57 OE1 GLN A 4 -7.445 8.559 -9.526 1.00 11.14 O ATOM 58 NE2 GLN A 4 -9.642 8.155 -9.753 1.00 3.42 N ATOM 0 H GLN A 4 -7.500 8.294 -12.127 1.00 62.24 H new ATOM 0 HA GLN A 4 -5.281 6.336 -12.263 1.00 32.33 H new ATOM 0 HB2 GLN A 4 -6.397 5.077 -10.489 1.00 43.11 H new ATOM 0 HB3 GLN A 4 -5.994 6.687 -9.926 1.00 43.11 H new ATOM 0 HG2 GLN A 4 -8.735 6.091 -11.045 1.00 34.22 H new ATOM 0 HG3 GLN A 4 -8.341 5.691 -9.385 1.00 34.22 H new ATOM 0 HE21 GLN A 4 -10.374 7.484 -9.987 1.00 3.42 H new ATOM 0 HE22 GLN A 4 -9.890 9.107 -9.483 1.00 3.42 H new ATOM 67 N VAL A 5 -6.822 4.524 -13.270 1.00 60.41 N ATOM 68 CA VAL A 5 -7.571 3.668 -14.183 1.00 5.04 C ATOM 69 C VAL A 5 -7.848 2.306 -13.556 1.00 61.35 C ATOM 70 O VAL A 5 -6.993 1.738 -12.877 1.00 64.04 O ATOM 71 CB VAL A 5 -6.815 3.466 -15.509 1.00 41.14 C ATOM 72 CG1 VAL A 5 -6.850 4.739 -16.342 1.00 64.44 C ATOM 73 CG2 VAL A 5 -5.381 3.032 -15.245 1.00 74.42 C ATOM 0 H VAL A 5 -6.003 4.082 -12.853 1.00 60.41 H new ATOM 0 HA VAL A 5 -8.517 4.171 -14.385 1.00 5.04 H new ATOM 0 HB VAL A 5 -7.311 2.676 -16.073 1.00 41.14 H new ATOM 0 HG11 VAL A 5 -6.311 4.578 -17.276 1.00 64.44 H new ATOM 0 HG12 VAL A 5 -7.885 5.002 -16.561 1.00 64.44 H new ATOM 0 HG13 VAL A 5 -6.379 5.550 -15.787 1.00 64.44 H new ATOM 0 HG21 VAL A 5 -4.862 2.894 -16.194 1.00 74.42 H new ATOM 0 HG22 VAL A 5 -4.871 3.798 -14.660 1.00 74.42 H new ATOM 0 HG23 VAL A 5 -5.381 2.093 -14.692 1.00 74.42 H new ATOM 83 N SER A 6 -9.050 1.787 -13.790 1.00 21.43 N ATOM 84 CA SER A 6 -9.441 0.492 -13.246 1.00 11.42 C ATOM 85 C SER A 6 -10.753 0.018 -13.865 1.00 12.01 C ATOM 86 O SER A 6 -11.540 0.818 -14.366 1.00 41.32 O ATOM 87 CB SER A 6 -9.583 0.576 -11.725 1.00 24.23 C ATOM 88 OG SER A 6 -10.240 -0.569 -11.209 1.00 61.34 O ATOM 0 H SER A 6 -9.769 2.243 -14.352 1.00 21.43 H new ATOM 0 HA SER A 6 -8.661 -0.229 -13.492 1.00 11.42 H new ATOM 0 HB2 SER A 6 -8.597 0.669 -11.269 1.00 24.23 H new ATOM 0 HB3 SER A 6 -10.144 1.472 -11.458 1.00 24.23 H new ATOM 0 HG SER A 6 -10.316 -0.491 -10.235 1.00 61.34 H new ATOM 94 N ASN A 7 -10.980 -1.292 -13.824 1.00 11.43 N ATOM 95 CA ASN A 7 -12.195 -1.874 -14.380 1.00 54.24 C ATOM 96 C ASN A 7 -12.815 -2.872 -13.406 1.00 42.44 C ATOM 97 O ASN A 7 -12.119 -3.469 -12.585 1.00 13.32 O ATOM 98 CB ASN A 7 -11.892 -2.565 -15.712 1.00 1.15 C ATOM 99 CG ASN A 7 -13.150 -2.971 -16.452 1.00 73.05 C ATOM 100 OD1 ASN A 7 -13.558 -4.132 -16.417 1.00 12.12 O ATOM 101 ND2 ASN A 7 -13.774 -2.014 -17.130 1.00 3.33 N ATOM 0 H ASN A 7 -10.338 -1.969 -13.412 1.00 11.43 H new ATOM 0 HA ASN A 7 -12.909 -1.068 -14.551 1.00 54.24 H new ATOM 0 HB2 ASN A 7 -11.305 -1.895 -16.340 1.00 1.15 H new ATOM 0 HB3 ASN A 7 -11.280 -3.448 -15.529 1.00 1.15 H new ATOM 0 HD21 ASN A 7 -14.626 -2.229 -17.648 1.00 3.33 H new ATOM 0 HD22 ASN A 7 -13.401 -1.065 -17.132 1.00 3.33 H new ATOM 108 N VAL A 8 -14.130 -3.049 -13.506 1.00 23.22 N ATOM 109 CA VAL A 8 -14.844 -3.976 -12.636 1.00 43.12 C ATOM 110 C VAL A 8 -14.280 -5.387 -12.755 1.00 44.45 C ATOM 111 O VAL A 8 -13.359 -5.634 -13.534 1.00 63.53 O ATOM 112 CB VAL A 8 -16.348 -4.006 -12.963 1.00 21.41 C ATOM 113 CG1 VAL A 8 -16.990 -2.663 -12.653 1.00 5.43 C ATOM 114 CG2 VAL A 8 -16.568 -4.387 -14.419 1.00 72.54 C ATOM 0 H VAL A 8 -14.721 -2.563 -14.180 1.00 23.22 H new ATOM 0 HA VAL A 8 -14.709 -3.620 -11.615 1.00 43.12 H new ATOM 0 HB VAL A 8 -16.823 -4.761 -12.337 1.00 21.41 H new ATOM 0 HG11 VAL A 8 -18.053 -2.704 -12.891 1.00 5.43 H new ATOM 0 HG12 VAL A 8 -16.864 -2.435 -11.595 1.00 5.43 H new ATOM 0 HG13 VAL A 8 -16.514 -1.886 -13.251 1.00 5.43 H new ATOM 0 HG21 VAL A 8 -17.637 -4.404 -14.633 1.00 72.54 H new ATOM 0 HG22 VAL A 8 -16.080 -3.656 -15.064 1.00 72.54 H new ATOM 0 HG23 VAL A 8 -16.145 -5.374 -14.605 1.00 72.54 H new ATOM 124 N ARG A 9 -14.839 -6.309 -11.979 1.00 12.14 N ATOM 125 CA ARG A 9 -14.391 -7.696 -11.997 1.00 70.02 C ATOM 126 C ARG A 9 -15.575 -8.652 -11.875 1.00 0.41 C ATOM 127 O ARG A 9 -16.524 -8.388 -11.137 1.00 52.03 O ATOM 128 CB ARG A 9 -13.400 -7.950 -10.860 1.00 45.11 C ATOM 129 CG ARG A 9 -12.046 -7.292 -11.075 1.00 44.42 C ATOM 130 CD ARG A 9 -11.367 -6.969 -9.753 1.00 10.13 C ATOM 131 NE ARG A 9 -9.942 -6.698 -9.922 1.00 11.54 N ATOM 132 CZ ARG A 9 -9.181 -6.155 -8.978 1.00 13.01 C ATOM 133 NH1 ARG A 9 -9.706 -5.828 -7.804 1.00 45.32 N ATOM 134 NH2 ARG A 9 -7.892 -5.938 -9.205 1.00 73.54 N ATOM 0 H ARG A 9 -15.603 -6.121 -11.330 1.00 12.14 H new ATOM 0 HA ARG A 9 -13.895 -7.878 -12.950 1.00 70.02 H new ATOM 0 HB2 ARG A 9 -13.829 -7.584 -9.927 1.00 45.11 H new ATOM 0 HB3 ARG A 9 -13.258 -9.025 -10.746 1.00 45.11 H new ATOM 0 HG2 ARG A 9 -11.408 -7.953 -11.661 1.00 44.42 H new ATOM 0 HG3 ARG A 9 -12.173 -6.377 -11.653 1.00 44.42 H new ATOM 0 HD2 ARG A 9 -11.849 -6.103 -9.300 1.00 10.13 H new ATOM 0 HD3 ARG A 9 -11.498 -7.804 -9.065 1.00 10.13 H new ATOM 0 HE ARG A 9 -9.507 -6.939 -10.813 1.00 11.54 H new ATOM 0 HH11 ARG A 9 -10.696 -5.993 -7.624 1.00 45.32 H new ATOM 0 HH12 ARG A 9 -9.119 -5.411 -7.081 1.00 45.32 H new ATOM 0 HH21 ARG A 9 -7.484 -6.188 -10.106 1.00 73.54 H new ATOM 0 HH22 ARG A 9 -7.309 -5.521 -8.479 1.00 73.54 H new ATOM 148 N ALA A 10 -15.512 -9.760 -12.604 1.00 73.31 N ATOM 149 CA ALA A 10 -16.577 -10.755 -12.576 1.00 60.25 C ATOM 150 C ALA A 10 -16.180 -11.961 -11.733 1.00 73.12 C ATOM 151 O ALA A 10 -15.088 -12.508 -11.888 1.00 3.44 O ATOM 152 CB ALA A 10 -16.929 -11.190 -13.991 1.00 32.24 C ATOM 0 H ALA A 10 -14.734 -9.992 -13.222 1.00 73.31 H new ATOM 0 HA ALA A 10 -17.455 -10.299 -12.118 1.00 60.25 H new ATOM 0 HB1 ALA A 10 -17.726 -11.933 -13.956 1.00 32.24 H new ATOM 0 HB2 ALA A 10 -17.264 -10.326 -14.565 1.00 32.24 H new ATOM 0 HB3 ALA A 10 -16.050 -11.623 -14.468 1.00 32.24 H new ATOM 158 N ARG A 11 -17.074 -12.372 -10.839 1.00 55.14 N ATOM 159 CA ARG A 11 -16.816 -13.513 -9.969 1.00 0.01 C ATOM 160 C ARG A 11 -17.686 -14.704 -10.361 1.00 71.30 C ATOM 161 O ARG A 11 -18.878 -14.742 -10.054 1.00 4.40 O ATOM 162 CB ARG A 11 -17.074 -13.137 -8.509 1.00 33.24 C ATOM 163 CG ARG A 11 -16.939 -14.305 -7.546 1.00 32.51 C ATOM 164 CD ARG A 11 -17.269 -13.893 -6.120 1.00 71.33 C ATOM 165 NE ARG A 11 -18.703 -13.951 -5.853 1.00 14.21 N ATOM 166 CZ ARG A 11 -19.383 -15.085 -5.721 1.00 22.32 C ATOM 167 NH1 ARG A 11 -18.760 -16.251 -5.830 1.00 43.10 N ATOM 168 NH2 ARG A 11 -20.687 -15.056 -5.478 1.00 42.02 N ATOM 0 H ARG A 11 -17.983 -11.932 -10.698 1.00 55.14 H new ATOM 0 HA ARG A 11 -15.770 -13.796 -10.084 1.00 0.01 H new ATOM 0 HB2 ARG A 11 -16.376 -12.353 -8.216 1.00 33.24 H new ATOM 0 HB3 ARG A 11 -18.077 -12.720 -8.422 1.00 33.24 H new ATOM 0 HG2 ARG A 11 -17.603 -15.112 -7.856 1.00 32.51 H new ATOM 0 HG3 ARG A 11 -15.922 -14.696 -7.587 1.00 32.51 H new ATOM 0 HD2 ARG A 11 -16.744 -14.546 -5.423 1.00 71.33 H new ATOM 0 HD3 ARG A 11 -16.908 -12.880 -5.942 1.00 71.33 H new ATOM 0 HE ARG A 11 -19.212 -13.072 -5.763 1.00 14.21 H new ATOM 0 HH11 ARG A 11 -17.757 -16.278 -6.015 1.00 43.10 H new ATOM 0 HH12 ARG A 11 -19.284 -17.120 -5.728 1.00 43.10 H new ATOM 0 HH21 ARG A 11 -21.170 -14.162 -5.392 1.00 42.02 H new ATOM 0 HH22 ARG A 11 -21.206 -15.928 -5.377 1.00 42.02 H new ATOM 182 N ILE A 12 -17.083 -15.673 -11.041 1.00 72.21 N ATOM 183 CA ILE A 12 -17.803 -16.864 -11.473 1.00 60.03 C ATOM 184 C ILE A 12 -17.607 -18.013 -10.490 1.00 1.24 C ATOM 185 O ILE A 12 -16.493 -18.270 -10.032 1.00 43.34 O ATOM 186 CB ILE A 12 -17.349 -17.318 -12.873 1.00 30.30 C ATOM 187 CG1 ILE A 12 -17.569 -16.200 -13.893 1.00 0.52 C ATOM 188 CG2 ILE A 12 -18.097 -18.577 -13.289 1.00 65.43 C ATOM 189 CD1 ILE A 12 -16.753 -16.364 -15.156 1.00 50.25 C ATOM 0 H ILE A 12 -16.098 -15.657 -11.305 1.00 72.21 H new ATOM 0 HA ILE A 12 -18.859 -16.598 -11.510 1.00 60.03 H new ATOM 0 HB ILE A 12 -16.284 -17.546 -12.837 1.00 30.30 H new ATOM 0 HG12 ILE A 12 -18.626 -16.162 -14.156 1.00 0.52 H new ATOM 0 HG13 ILE A 12 -17.321 -15.244 -13.431 1.00 0.52 H new ATOM 0 HG21 ILE A 12 -17.766 -18.886 -14.280 1.00 65.43 H new ATOM 0 HG22 ILE A 12 -17.894 -19.374 -12.574 1.00 65.43 H new ATOM 0 HG23 ILE A 12 -19.168 -18.374 -13.311 1.00 65.43 H new ATOM 0 HD11 ILE A 12 -16.960 -15.535 -15.833 1.00 50.25 H new ATOM 0 HD12 ILE A 12 -15.692 -16.372 -14.905 1.00 50.25 H new ATOM 0 HD13 ILE A 12 -17.018 -17.304 -15.641 1.00 50.25 H new ATOM 201 N TYR A 13 -18.696 -18.702 -10.170 1.00 75.13 N ATOM 202 CA TYR A 13 -18.645 -19.824 -9.239 1.00 51.33 C ATOM 203 C TYR A 13 -19.326 -21.054 -9.832 1.00 14.24 C ATOM 204 O TYR A 13 -20.407 -20.960 -10.414 1.00 32.10 O ATOM 205 CB TYR A 13 -19.310 -19.446 -7.916 1.00 35.04 C ATOM 206 CG TYR A 13 -19.366 -20.583 -6.919 1.00 41.15 C ATOM 207 CD1 TYR A 13 -18.202 -21.185 -6.459 1.00 32.21 C ATOM 208 CD2 TYR A 13 -20.581 -21.054 -6.441 1.00 72.23 C ATOM 209 CE1 TYR A 13 -18.247 -22.225 -5.549 1.00 75.32 C ATOM 210 CE2 TYR A 13 -20.637 -22.093 -5.531 1.00 5.04 C ATOM 211 CZ TYR A 13 -19.467 -22.674 -5.089 1.00 15.25 C ATOM 212 OH TYR A 13 -19.518 -23.709 -4.182 1.00 62.13 O ATOM 0 H TYR A 13 -19.625 -18.504 -10.541 1.00 75.13 H new ATOM 0 HA TYR A 13 -17.598 -20.064 -9.055 1.00 51.33 H new ATOM 0 HB2 TYR A 13 -18.768 -18.611 -7.472 1.00 35.04 H new ATOM 0 HB3 TYR A 13 -20.324 -19.098 -8.115 1.00 35.04 H new ATOM 0 HD1 TYR A 13 -17.246 -20.835 -6.818 1.00 32.21 H new ATOM 0 HD2 TYR A 13 -21.499 -20.601 -6.786 1.00 72.23 H new ATOM 0 HE1 TYR A 13 -17.333 -22.683 -5.201 1.00 75.32 H new ATOM 0 HE2 TYR A 13 -21.591 -22.447 -5.169 1.00 5.04 H new ATOM 0 HH TYR A 13 -20.452 -23.903 -3.959 1.00 62.13 H new ATOM 222 N LYS A 14 -18.687 -22.208 -9.677 1.00 52.21 N ATOM 223 CA LYS A 14 -19.230 -23.459 -10.192 1.00 52.04 C ATOM 224 C LYS A 14 -20.147 -24.119 -9.166 1.00 45.44 C ATOM 225 O LYS A 14 -20.003 -23.932 -7.959 1.00 2.52 O ATOM 226 CB LYS A 14 -18.096 -24.415 -10.567 1.00 72.25 C ATOM 227 CG LYS A 14 -17.407 -25.042 -9.368 1.00 40.33 C ATOM 228 CD LYS A 14 -17.976 -26.415 -9.052 1.00 73.04 C ATOM 229 CE LYS A 14 -17.210 -27.516 -9.770 1.00 1.34 C ATOM 230 NZ LYS A 14 -17.828 -28.853 -9.556 1.00 13.11 N ATOM 0 H LYS A 14 -17.791 -22.303 -9.198 1.00 52.21 H new ATOM 0 HA LYS A 14 -19.815 -23.232 -11.083 1.00 52.04 H new ATOM 0 HB2 LYS A 14 -18.495 -25.207 -11.201 1.00 72.25 H new ATOM 0 HB3 LYS A 14 -17.357 -23.874 -11.158 1.00 72.25 H new ATOM 0 HG2 LYS A 14 -16.338 -25.127 -9.565 1.00 40.33 H new ATOM 0 HG3 LYS A 14 -17.521 -24.392 -8.501 1.00 40.33 H new ATOM 0 HD2 LYS A 14 -17.938 -26.587 -7.976 1.00 73.04 H new ATOM 0 HD3 LYS A 14 -19.026 -26.451 -9.344 1.00 73.04 H new ATOM 0 HE2 LYS A 14 -17.177 -27.298 -10.838 1.00 1.34 H new ATOM 0 HE3 LYS A 14 -16.179 -27.532 -9.416 1.00 1.34 H new ATOM 0 HZ1 LYS A 14 -17.276 -29.575 -10.061 1.00 13.11 H new ATOM 0 HZ2 LYS A 14 -17.837 -29.073 -8.539 1.00 13.11 H new ATOM 0 HZ3 LYS A 14 -18.803 -28.847 -9.917 1.00 13.11 H new ATOM 244 N PRO A 15 -21.111 -24.912 -9.657 1.00 11.31 N ATOM 245 CA PRO A 15 -22.068 -25.617 -8.799 1.00 52.24 C ATOM 246 C PRO A 15 -21.414 -26.740 -8.003 1.00 12.22 C ATOM 247 O PRO A 15 -21.030 -27.768 -8.560 1.00 50.45 O ATOM 248 CB PRO A 15 -23.083 -26.186 -9.794 1.00 32.33 C ATOM 249 CG PRO A 15 -22.329 -26.315 -11.072 1.00 44.35 C ATOM 250 CD PRO A 15 -21.342 -25.181 -11.086 1.00 64.25 C ATOM 0 HA PRO A 15 -22.508 -24.958 -8.051 1.00 52.24 H new ATOM 0 HB2 PRO A 15 -23.466 -27.151 -9.461 1.00 32.33 H new ATOM 0 HB3 PRO A 15 -23.942 -25.524 -9.906 1.00 32.33 H new ATOM 0 HG2 PRO A 15 -21.819 -27.277 -11.129 1.00 44.35 H new ATOM 0 HG3 PRO A 15 -23.000 -26.259 -11.929 1.00 44.35 H new ATOM 0 HD2 PRO A 15 -20.420 -25.457 -11.597 1.00 64.25 H new ATOM 0 HD3 PRO A 15 -21.742 -24.307 -11.600 1.00 64.25 H new ATOM 258 N ALA A 16 -21.292 -26.538 -6.695 1.00 2.34 N ATOM 259 CA ALA A 16 -20.687 -27.535 -5.821 1.00 32.34 C ATOM 260 C ALA A 16 -21.493 -28.830 -5.824 1.00 52.33 C ATOM 261 O ALA A 16 -22.708 -28.816 -6.024 1.00 10.02 O ATOM 262 CB ALA A 16 -20.564 -26.991 -4.405 1.00 21.53 C ATOM 0 H ALA A 16 -21.604 -25.693 -6.217 1.00 2.34 H new ATOM 0 HA ALA A 16 -19.690 -27.758 -6.201 1.00 32.34 H new ATOM 0 HB1 ALA A 16 -20.111 -27.746 -3.763 1.00 21.53 H new ATOM 0 HB2 ALA A 16 -19.939 -26.098 -4.411 1.00 21.53 H new ATOM 0 HB3 ALA A 16 -21.554 -26.739 -4.025 1.00 21.53 H new ATOM 268 N LYS A 17 -20.810 -29.948 -5.602 1.00 51.22 N ATOM 269 CA LYS A 17 -21.462 -31.252 -5.578 1.00 52.42 C ATOM 270 C LYS A 17 -22.228 -31.453 -4.275 1.00 33.33 C ATOM 271 O LYS A 17 -22.044 -30.706 -3.314 1.00 73.11 O ATOM 272 CB LYS A 17 -20.428 -32.366 -5.752 1.00 51.04 C ATOM 273 CG LYS A 17 -19.908 -32.496 -7.173 1.00 63.14 C ATOM 274 CD LYS A 17 -18.534 -33.147 -7.207 1.00 73.11 C ATOM 275 CE LYS A 17 -18.619 -34.641 -6.934 1.00 14.31 C ATOM 276 NZ LYS A 17 -18.872 -35.419 -8.178 1.00 44.35 N ATOM 0 H LYS A 17 -19.804 -29.977 -5.436 1.00 51.22 H new ATOM 0 HA LYS A 17 -22.171 -31.291 -6.405 1.00 52.42 H new ATOM 0 HB2 LYS A 17 -19.588 -32.179 -5.082 1.00 51.04 H new ATOM 0 HB3 LYS A 17 -20.873 -33.314 -5.449 1.00 51.04 H new ATOM 0 HG2 LYS A 17 -20.607 -33.088 -7.764 1.00 63.14 H new ATOM 0 HG3 LYS A 17 -19.856 -31.510 -7.634 1.00 63.14 H new ATOM 0 HD2 LYS A 17 -18.075 -32.979 -8.181 1.00 73.11 H new ATOM 0 HD3 LYS A 17 -17.889 -32.676 -6.465 1.00 73.11 H new ATOM 0 HE2 LYS A 17 -17.690 -34.980 -6.477 1.00 14.31 H new ATOM 0 HE3 LYS A 17 -19.416 -34.834 -6.216 1.00 14.31 H new ATOM 0 HZ1 LYS A 17 -18.923 -36.432 -7.949 1.00 44.35 H new ATOM 0 HZ2 LYS A 17 -19.772 -35.114 -8.601 1.00 44.35 H new ATOM 0 HZ3 LYS A 17 -18.098 -35.255 -8.853 1.00 44.35 H new ATOM 290 N SER A 18 -23.087 -32.467 -4.250 1.00 34.14 N ATOM 291 CA SER A 18 -23.882 -32.766 -3.064 1.00 12.03 C ATOM 292 C SER A 18 -24.655 -31.534 -2.604 1.00 53.23 C ATOM 293 O SER A 18 -24.940 -31.371 -1.417 1.00 21.20 O ATOM 294 CB SER A 18 -22.982 -33.268 -1.933 1.00 74.31 C ATOM 295 OG SER A 18 -22.469 -32.188 -1.173 1.00 22.34 O ATOM 0 H SER A 18 -23.250 -33.095 -5.037 1.00 34.14 H new ATOM 0 HA SER A 18 -24.597 -33.547 -3.324 1.00 12.03 H new ATOM 0 HB2 SER A 18 -23.547 -33.937 -1.284 1.00 74.31 H new ATOM 0 HB3 SER A 18 -22.158 -33.848 -2.349 1.00 74.31 H new ATOM 0 HG SER A 18 -22.072 -31.524 -1.775 1.00 22.34 H new ATOM 301 N THR A 19 -24.994 -30.667 -3.554 1.00 53.42 N ATOM 302 CA THR A 19 -25.734 -29.449 -3.249 1.00 5.13 C ATOM 303 C THR A 19 -27.237 -29.681 -3.342 1.00 11.51 C ATOM 304 O THR A 19 -28.016 -29.063 -2.616 1.00 4.14 O ATOM 305 CB THR A 19 -25.343 -28.302 -4.199 1.00 45.51 C ATOM 306 OG1 THR A 19 -25.980 -27.086 -3.789 1.00 33.13 O ATOM 307 CG2 THR A 19 -25.736 -28.628 -5.632 1.00 21.20 C ATOM 0 H THR A 19 -24.767 -30.786 -4.541 1.00 53.42 H new ATOM 0 HA THR A 19 -25.475 -29.169 -2.228 1.00 5.13 H new ATOM 0 HB THR A 19 -24.261 -28.177 -4.155 1.00 45.51 H new ATOM 0 HG1 THR A 19 -25.725 -26.362 -4.398 1.00 33.13 H new ATOM 0 HG21 THR A 19 -25.450 -27.803 -6.284 1.00 21.20 H new ATOM 0 HG22 THR A 19 -25.226 -29.537 -5.951 1.00 21.20 H new ATOM 0 HG23 THR A 19 -26.814 -28.778 -5.688 1.00 21.20 H new ATOM 315 N MET A 20 -27.639 -30.574 -4.239 1.00 31.34 N ATOM 316 CA MET A 20 -29.051 -30.889 -4.425 1.00 1.34 C ATOM 317 C MET A 20 -29.236 -32.353 -4.809 1.00 32.04 C ATOM 318 O MET A 20 -28.334 -32.976 -5.367 1.00 22.45 O ATOM 319 CB MET A 20 -29.660 -29.987 -5.500 1.00 3.42 C ATOM 320 CG MET A 20 -28.993 -30.127 -6.858 1.00 43.13 C ATOM 321 SD MET A 20 -29.618 -28.940 -8.064 1.00 61.23 S ATOM 322 CE MET A 20 -28.560 -29.294 -9.466 1.00 45.13 C ATOM 0 H MET A 20 -27.007 -31.093 -4.849 1.00 31.34 H new ATOM 0 HA MET A 20 -29.564 -30.712 -3.480 1.00 1.34 H new ATOM 0 HB2 MET A 20 -30.720 -30.219 -5.599 1.00 3.42 H new ATOM 0 HB3 MET A 20 -29.590 -28.949 -5.175 1.00 3.42 H new ATOM 0 HG2 MET A 20 -27.917 -29.993 -6.746 1.00 43.13 H new ATOM 0 HG3 MET A 20 -29.151 -31.138 -7.234 1.00 43.13 H new ATOM 0 HE1 MET A 20 -28.824 -28.638 -10.296 1.00 45.13 H new ATOM 0 HE2 MET A 20 -27.519 -29.126 -9.188 1.00 45.13 H new ATOM 0 HE3 MET A 20 -28.692 -30.333 -9.768 1.00 45.13 H new ATOM 332 N GLN A 21 -30.411 -32.897 -4.504 1.00 41.43 N ATOM 333 CA GLN A 21 -30.712 -34.288 -4.817 1.00 51.14 C ATOM 334 C GLN A 21 -31.018 -34.458 -6.303 1.00 11.54 C ATOM 335 O GLN A 21 -30.601 -35.435 -6.924 1.00 61.22 O ATOM 336 CB GLN A 21 -31.896 -34.776 -3.982 1.00 53.52 C ATOM 337 CG GLN A 21 -31.529 -35.118 -2.547 1.00 60.43 C ATOM 338 CD GLN A 21 -32.740 -35.212 -1.641 1.00 1.15 C ATOM 339 OE1 GLN A 21 -33.695 -35.932 -1.932 1.00 20.22 O ATOM 340 NE2 GLN A 21 -32.707 -34.481 -0.532 1.00 41.55 N ATOM 0 H GLN A 21 -31.169 -32.395 -4.041 1.00 41.43 H new ATOM 0 HA GLN A 21 -29.834 -34.887 -4.574 1.00 51.14 H new ATOM 0 HB2 GLN A 21 -32.668 -34.007 -3.977 1.00 53.52 H new ATOM 0 HB3 GLN A 21 -32.327 -35.657 -4.458 1.00 53.52 H new ATOM 0 HG2 GLN A 21 -30.993 -36.067 -2.530 1.00 60.43 H new ATOM 0 HG3 GLN A 21 -30.848 -34.360 -2.160 1.00 60.43 H new ATOM 0 HE21 GLN A 21 -31.895 -33.898 -0.330 1.00 41.55 H new ATOM 0 HE22 GLN A 21 -33.494 -34.503 0.117 1.00 41.55 H new ATOM 349 N SER A 22 -31.750 -33.501 -6.864 1.00 3.10 N ATOM 350 CA SER A 22 -32.115 -33.547 -8.275 1.00 70.03 C ATOM 351 C SER A 22 -32.068 -32.154 -8.895 1.00 11.25 C ATOM 352 O SER A 22 -31.978 -31.151 -8.187 1.00 64.22 O ATOM 353 CB SER A 22 -33.514 -34.144 -8.443 1.00 32.34 C ATOM 354 OG SER A 22 -33.691 -35.270 -7.600 1.00 11.22 O ATOM 0 H SER A 22 -32.102 -32.685 -6.363 1.00 3.10 H new ATOM 0 HA SER A 22 -31.392 -34.180 -8.790 1.00 70.03 H new ATOM 0 HB2 SER A 22 -34.265 -33.389 -8.210 1.00 32.34 H new ATOM 0 HB3 SER A 22 -33.666 -34.436 -9.482 1.00 32.34 H new ATOM 0 HG SER A 22 -34.593 -35.633 -7.724 1.00 11.22 H new ATOM 360 N GLY A 23 -32.129 -32.100 -10.222 1.00 4.15 N ATOM 361 CA GLY A 23 -32.091 -30.825 -10.915 1.00 34.25 C ATOM 362 C GLY A 23 -33.475 -30.314 -11.264 1.00 32.04 C ATOM 363 O GLY A 23 -33.738 -29.113 -11.194 1.00 25.13 O ATOM 0 H GLY A 23 -32.204 -32.916 -10.829 1.00 4.15 H new ATOM 0 HA2 GLY A 23 -31.583 -30.090 -10.291 1.00 34.25 H new ATOM 0 HA3 GLY A 23 -31.504 -30.928 -11.828 1.00 34.25 H new ATOM 367 N HIS A 24 -34.363 -31.228 -11.643 1.00 42.24 N ATOM 368 CA HIS A 24 -35.728 -30.862 -12.005 1.00 62.44 C ATOM 369 C HIS A 24 -35.738 -29.930 -13.214 1.00 13.34 C ATOM 370 O HIS A 24 -36.393 -28.888 -13.199 1.00 43.11 O ATOM 371 CB HIS A 24 -36.431 -30.193 -10.824 1.00 45.30 C ATOM 372 CG HIS A 24 -37.920 -30.141 -10.964 1.00 54.23 C ATOM 373 ND1 HIS A 24 -38.740 -29.505 -10.056 1.00 13.12 N ATOM 374 CD2 HIS A 24 -38.738 -30.649 -11.915 1.00 54.31 C ATOM 375 CE1 HIS A 24 -39.998 -29.625 -10.441 1.00 70.33 C ATOM 376 NE2 HIS A 24 -40.025 -30.315 -11.567 1.00 61.31 N ATOM 0 H HIS A 24 -34.162 -32.226 -11.707 1.00 42.24 H new ATOM 0 HA HIS A 24 -36.265 -31.774 -12.267 1.00 62.44 H new ATOM 0 HB2 HIS A 24 -36.179 -30.731 -9.910 1.00 45.30 H new ATOM 0 HB3 HIS A 24 -36.049 -29.178 -10.712 1.00 45.30 H new ATOM 0 HD2 HIS A 24 -38.436 -31.212 -12.786 1.00 54.31 H new ATOM 0 HE1 HIS A 24 -40.858 -29.227 -9.923 1.00 70.33 H new ATOM 0 HE2 HIS A 24 -40.864 -30.560 -12.093 1.00 61.31 H new ATOM 384 N SER A 25 -35.007 -30.312 -14.256 1.00 11.30 N ATOM 385 CA SER A 25 -34.929 -29.508 -15.470 1.00 70.11 C ATOM 386 C SER A 25 -34.553 -28.066 -15.143 1.00 42.32 C ATOM 387 O SER A 25 -35.049 -27.125 -15.764 1.00 34.51 O ATOM 388 CB SER A 25 -36.264 -29.542 -16.217 1.00 1.35 C ATOM 389 OG SER A 25 -37.180 -28.612 -15.665 1.00 50.43 O ATOM 0 H SER A 25 -34.461 -31.173 -14.284 1.00 11.30 H new ATOM 0 HA SER A 25 -34.153 -29.932 -16.108 1.00 70.11 H new ATOM 0 HB2 SER A 25 -36.101 -29.315 -17.271 1.00 1.35 H new ATOM 0 HB3 SER A 25 -36.686 -30.546 -16.169 1.00 1.35 H new ATOM 0 HG SER A 25 -37.150 -28.664 -14.687 1.00 50.43 H new ATOM 395 N LYS A 26 -33.671 -27.899 -14.163 1.00 13.15 N ATOM 396 CA LYS A 26 -33.226 -26.573 -13.751 1.00 65.25 C ATOM 397 C LYS A 26 -32.717 -25.775 -14.948 1.00 40.31 C ATOM 398 O LYS A 26 -32.239 -26.345 -15.930 1.00 43.53 O ATOM 399 CB LYS A 26 -32.123 -26.687 -12.697 1.00 31.03 C ATOM 400 CG LYS A 26 -32.097 -25.528 -11.716 1.00 10.43 C ATOM 401 CD LYS A 26 -33.178 -25.668 -10.657 1.00 61.34 C ATOM 402 CE LYS A 26 -32.744 -26.601 -9.538 1.00 1.04 C ATOM 403 NZ LYS A 26 -31.541 -26.090 -8.825 1.00 22.04 N ATOM 0 H LYS A 26 -33.250 -28.666 -13.639 1.00 13.15 H new ATOM 0 HA LYS A 26 -34.079 -26.048 -13.321 1.00 65.25 H new ATOM 0 HB2 LYS A 26 -32.255 -27.617 -12.144 1.00 31.03 H new ATOM 0 HB3 LYS A 26 -31.157 -26.749 -13.199 1.00 31.03 H new ATOM 0 HG2 LYS A 26 -31.120 -25.479 -11.235 1.00 10.43 H new ATOM 0 HG3 LYS A 26 -32.234 -24.591 -12.255 1.00 10.43 H new ATOM 0 HD2 LYS A 26 -33.413 -24.687 -10.244 1.00 61.34 H new ATOM 0 HD3 LYS A 26 -34.091 -26.048 -11.115 1.00 61.34 H new ATOM 0 HE2 LYS A 26 -33.562 -26.722 -8.828 1.00 1.04 H new ATOM 0 HE3 LYS A 26 -32.530 -27.587 -9.950 1.00 1.04 H new ATOM 0 HZ1 LYS A 26 -30.749 -26.749 -8.964 1.00 22.04 H new ATOM 0 HZ2 LYS A 26 -31.285 -25.156 -9.203 1.00 22.04 H new ATOM 0 HZ3 LYS A 26 -31.748 -26.008 -7.809 1.00 22.04 H new ATOM 417 N LEU A 27 -32.821 -24.454 -14.859 1.00 41.53 N ATOM 418 CA LEU A 27 -32.371 -23.576 -15.934 1.00 21.22 C ATOM 419 C LEU A 27 -31.025 -22.944 -15.593 1.00 20.03 C ATOM 420 O LEU A 27 -30.247 -22.594 -16.481 1.00 73.11 O ATOM 421 CB LEU A 27 -33.408 -22.484 -16.197 1.00 43.11 C ATOM 422 CG LEU A 27 -34.863 -22.947 -16.286 1.00 0.35 C ATOM 423 CD1 LEU A 27 -35.778 -21.775 -16.600 1.00 55.54 C ATOM 424 CD2 LEU A 27 -35.012 -24.039 -17.335 1.00 22.13 C ATOM 0 H LEU A 27 -33.213 -23.967 -14.053 1.00 41.53 H new ATOM 0 HA LEU A 27 -32.252 -24.178 -16.835 1.00 21.22 H new ATOM 0 HB2 LEU A 27 -33.332 -21.740 -15.404 1.00 43.11 H new ATOM 0 HB3 LEU A 27 -33.150 -21.983 -17.130 1.00 43.11 H new ATOM 0 HG LEU A 27 -35.153 -23.358 -15.319 1.00 0.35 H new ATOM 0 HD11 LEU A 27 -36.809 -22.124 -16.659 1.00 55.54 H new ATOM 0 HD12 LEU A 27 -35.693 -21.026 -15.813 1.00 55.54 H new ATOM 0 HD13 LEU A 27 -35.489 -21.333 -17.554 1.00 55.54 H new ATOM 0 HD21 LEU A 27 -36.054 -24.356 -17.385 1.00 22.13 H new ATOM 0 HD22 LEU A 27 -34.703 -23.654 -18.307 1.00 22.13 H new ATOM 0 HD23 LEU A 27 -34.386 -24.890 -17.066 1.00 22.13 H new ATOM 436 N LYS A 28 -30.754 -22.802 -14.299 1.00 53.14 N ATOM 437 CA LYS A 28 -29.502 -22.215 -13.839 1.00 72.11 C ATOM 438 C LYS A 28 -28.611 -23.273 -13.196 1.00 24.12 C ATOM 439 O LYS A 28 -29.073 -24.085 -12.395 1.00 43.21 O ATOM 440 CB LYS A 28 -29.779 -21.090 -12.840 1.00 5.10 C ATOM 441 CG LYS A 28 -30.539 -21.546 -11.606 1.00 45.51 C ATOM 442 CD LYS A 28 -30.998 -20.364 -10.767 1.00 40.04 C ATOM 443 CE LYS A 28 -32.355 -19.850 -11.225 1.00 35.12 C ATOM 444 NZ LYS A 28 -32.955 -18.913 -10.235 1.00 1.41 N ATOM 0 H LYS A 28 -31.386 -23.086 -13.551 1.00 53.14 H new ATOM 0 HA LYS A 28 -28.982 -21.803 -14.704 1.00 72.11 H new ATOM 0 HB2 LYS A 28 -28.832 -20.649 -12.531 1.00 5.10 H new ATOM 0 HB3 LYS A 28 -30.349 -20.305 -13.338 1.00 5.10 H new ATOM 0 HG2 LYS A 28 -31.404 -22.137 -11.908 1.00 45.51 H new ATOM 0 HG3 LYS A 28 -29.903 -22.195 -11.005 1.00 45.51 H new ATOM 0 HD2 LYS A 28 -31.054 -20.660 -9.719 1.00 40.04 H new ATOM 0 HD3 LYS A 28 -30.263 -19.562 -10.833 1.00 40.04 H new ATOM 0 HE2 LYS A 28 -32.247 -19.345 -12.185 1.00 35.12 H new ATOM 0 HE3 LYS A 28 -33.028 -20.692 -11.382 1.00 35.12 H new ATOM 0 HZ1 LYS A 28 -33.878 -18.585 -10.583 1.00 1.41 H new ATOM 0 HZ2 LYS A 28 -33.082 -19.402 -9.326 1.00 1.41 H new ATOM 0 HZ3 LYS A 28 -32.325 -18.096 -10.104 1.00 1.41 H new ATOM 458 N ALA A 29 -27.329 -23.255 -13.551 1.00 74.41 N ATOM 459 CA ALA A 29 -26.373 -24.211 -13.005 1.00 14.21 C ATOM 460 C ALA A 29 -25.148 -23.499 -12.440 1.00 54.20 C ATOM 461 O ALA A 29 -24.673 -23.830 -11.354 1.00 43.21 O ATOM 462 CB ALA A 29 -25.958 -25.212 -14.073 1.00 55.20 C ATOM 0 H ALA A 29 -26.930 -22.590 -14.213 1.00 74.41 H new ATOM 0 HA ALA A 29 -26.858 -24.747 -12.190 1.00 14.21 H new ATOM 0 HB1 ALA A 29 -25.244 -25.919 -13.651 1.00 55.20 H new ATOM 0 HB2 ALA A 29 -26.837 -25.751 -14.428 1.00 55.20 H new ATOM 0 HB3 ALA A 29 -25.496 -24.684 -14.907 1.00 55.20 H new ATOM 468 N TRP A 30 -24.642 -22.522 -13.184 1.00 11.14 N ATOM 469 CA TRP A 30 -23.472 -21.764 -12.757 1.00 21.11 C ATOM 470 C TRP A 30 -23.882 -20.433 -12.136 1.00 40.10 C ATOM 471 O TRP A 30 -24.988 -19.943 -12.366 1.00 21.44 O ATOM 472 CB TRP A 30 -22.536 -21.521 -13.942 1.00 33.04 C ATOM 473 CG TRP A 30 -21.758 -22.737 -14.344 1.00 32.43 C ATOM 474 CD1 TRP A 30 -22.231 -23.827 -15.017 1.00 72.43 C ATOM 475 CD2 TRP A 30 -20.371 -22.989 -14.095 1.00 23.31 C ATOM 476 NE1 TRP A 30 -21.222 -24.741 -15.203 1.00 23.14 N ATOM 477 CE2 TRP A 30 -20.070 -24.250 -14.647 1.00 31.13 C ATOM 478 CE3 TRP A 30 -19.352 -22.270 -13.463 1.00 52.11 C ATOM 479 CZ2 TRP A 30 -18.795 -24.805 -14.582 1.00 25.04 C ATOM 480 CZ3 TRP A 30 -18.087 -22.822 -13.399 1.00 75.43 C ATOM 481 CH2 TRP A 30 -17.817 -24.080 -13.957 1.00 1.23 C ATOM 0 H TRP A 30 -25.024 -22.236 -14.086 1.00 11.14 H new ATOM 0 HA TRP A 30 -22.947 -22.349 -12.002 1.00 21.11 H new ATOM 0 HB2 TRP A 30 -23.122 -21.176 -14.794 1.00 33.04 H new ATOM 0 HB3 TRP A 30 -21.840 -20.721 -13.688 1.00 33.04 H new ATOM 0 HD1 TRP A 30 -23.249 -23.952 -15.354 1.00 72.43 H new ATOM 0 HE1 TRP A 30 -21.315 -25.639 -15.678 1.00 23.14 H new ATOM 0 HE3 TRP A 30 -19.550 -21.300 -13.032 1.00 52.11 H new ATOM 0 HZ2 TRP A 30 -18.585 -25.774 -15.010 1.00 25.04 H new ATOM 0 HZ3 TRP A 30 -17.293 -22.276 -12.911 1.00 75.43 H new ATOM 0 HH2 TRP A 30 -16.818 -24.485 -13.892 1.00 1.23 H new ATOM 492 N LYS A 31 -22.984 -19.851 -11.347 1.00 73.34 N ATOM 493 CA LYS A 31 -23.251 -18.576 -10.694 1.00 55.14 C ATOM 494 C LYS A 31 -22.248 -17.517 -11.139 1.00 12.45 C ATOM 495 O LYS A 31 -21.112 -17.832 -11.493 1.00 50.03 O ATOM 496 CB LYS A 31 -23.198 -18.737 -9.173 1.00 62.52 C ATOM 497 CG LYS A 31 -24.392 -19.478 -8.598 1.00 71.31 C ATOM 498 CD LYS A 31 -25.561 -18.541 -8.346 1.00 35.23 C ATOM 499 CE LYS A 31 -26.528 -19.119 -7.323 1.00 43.32 C ATOM 500 NZ LYS A 31 -27.879 -18.500 -7.426 1.00 24.40 N ATOM 0 H LYS A 31 -22.064 -20.243 -11.145 1.00 73.34 H new ATOM 0 HA LYS A 31 -24.250 -18.250 -10.984 1.00 55.14 H new ATOM 0 HB2 LYS A 31 -22.286 -19.270 -8.904 1.00 62.52 H new ATOM 0 HB3 LYS A 31 -23.138 -17.750 -8.714 1.00 62.52 H new ATOM 0 HG2 LYS A 31 -24.698 -20.266 -9.286 1.00 71.31 H new ATOM 0 HG3 LYS A 31 -24.105 -19.963 -7.665 1.00 71.31 H new ATOM 0 HD2 LYS A 31 -25.188 -17.579 -7.993 1.00 35.23 H new ATOM 0 HD3 LYS A 31 -26.088 -18.355 -9.282 1.00 35.23 H new ATOM 0 HE2 LYS A 31 -26.610 -20.196 -7.469 1.00 43.32 H new ATOM 0 HE3 LYS A 31 -26.132 -18.962 -6.320 1.00 43.32 H new ATOM 0 HZ1 LYS A 31 -28.509 -18.920 -6.713 1.00 24.40 H new ATOM 0 HZ2 LYS A 31 -27.805 -17.476 -7.262 1.00 24.40 H new ATOM 0 HZ3 LYS A 31 -28.268 -18.671 -8.375 1.00 24.40 H new ATOM 514 N LEU A 32 -22.675 -16.258 -11.117 1.00 10.13 N ATOM 515 CA LEU A 32 -21.813 -15.152 -11.516 1.00 3.41 C ATOM 516 C LEU A 32 -22.197 -13.870 -10.782 1.00 73.13 C ATOM 517 O LEU A 32 -23.370 -13.500 -10.733 1.00 42.04 O ATOM 518 CB LEU A 32 -21.899 -14.932 -13.027 1.00 41.31 C ATOM 519 CG LEU A 32 -20.992 -13.843 -13.601 1.00 22.24 C ATOM 520 CD1 LEU A 32 -21.623 -12.471 -13.419 1.00 20.53 C ATOM 521 CD2 LEU A 32 -19.620 -13.892 -12.944 1.00 24.04 C ATOM 0 H LEU A 32 -23.612 -15.979 -10.827 1.00 10.13 H new ATOM 0 HA LEU A 32 -20.788 -15.409 -11.250 1.00 3.41 H new ATOM 0 HB2 LEU A 32 -21.663 -15.873 -13.525 1.00 41.31 H new ATOM 0 HB3 LEU A 32 -22.931 -14.688 -13.280 1.00 41.31 H new ATOM 0 HG LEU A 32 -20.869 -14.025 -14.669 1.00 22.24 H new ATOM 0 HD11 LEU A 32 -20.963 -11.709 -13.834 1.00 20.53 H new ATOM 0 HD12 LEU A 32 -22.582 -12.440 -13.936 1.00 20.53 H new ATOM 0 HD13 LEU A 32 -21.777 -12.279 -12.357 1.00 20.53 H new ATOM 0 HD21 LEU A 32 -18.987 -13.110 -13.364 1.00 24.04 H new ATOM 0 HD22 LEU A 32 -19.725 -13.736 -11.870 1.00 24.04 H new ATOM 0 HD23 LEU A 32 -19.164 -14.865 -13.126 1.00 24.04 H new ATOM 533 N GLU A 33 -21.201 -13.198 -10.215 1.00 2.21 N ATOM 534 CA GLU A 33 -21.435 -11.957 -9.485 1.00 23.20 C ATOM 535 C GLU A 33 -20.420 -10.889 -9.887 1.00 33.51 C ATOM 536 O GLU A 33 -19.237 -10.988 -9.561 1.00 72.31 O ATOM 537 CB GLU A 33 -21.362 -12.205 -7.977 1.00 65.54 C ATOM 538 CG GLU A 33 -21.657 -10.970 -7.143 1.00 32.15 C ATOM 539 CD GLU A 33 -23.133 -10.818 -6.829 1.00 71.20 C ATOM 540 OE1 GLU A 33 -23.664 -11.649 -6.063 1.00 54.34 O ATOM 541 OE2 GLU A 33 -23.755 -9.868 -7.348 1.00 54.23 O ATOM 0 H GLU A 33 -20.225 -13.491 -10.247 1.00 2.21 H new ATOM 0 HA GLU A 33 -22.433 -11.599 -9.739 1.00 23.20 H new ATOM 0 HB2 GLU A 33 -22.070 -12.990 -7.712 1.00 65.54 H new ATOM 0 HB3 GLU A 33 -20.368 -12.574 -7.726 1.00 65.54 H new ATOM 0 HG2 GLU A 33 -21.094 -11.023 -6.211 1.00 32.15 H new ATOM 0 HG3 GLU A 33 -21.309 -10.085 -7.676 1.00 32.15 H new ATOM 548 N PHE A 34 -20.893 -9.871 -10.596 1.00 44.32 N ATOM 549 CA PHE A 34 -20.028 -8.785 -11.044 1.00 32.20 C ATOM 550 C PHE A 34 -19.978 -7.666 -10.007 1.00 13.14 C ATOM 551 O PHE A 34 -20.987 -7.340 -9.383 1.00 23.02 O ATOM 552 CB PHE A 34 -20.519 -8.233 -12.384 1.00 11.04 C ATOM 553 CG PHE A 34 -21.821 -7.490 -12.285 1.00 24.21 C ATOM 554 CD1 PHE A 34 -23.027 -8.166 -12.370 1.00 3.03 C ATOM 555 CD2 PHE A 34 -21.838 -6.116 -12.105 1.00 64.23 C ATOM 556 CE1 PHE A 34 -24.226 -7.485 -12.280 1.00 42.03 C ATOM 557 CE2 PHE A 34 -23.034 -5.429 -12.015 1.00 71.31 C ATOM 558 CZ PHE A 34 -24.230 -6.115 -12.102 1.00 33.24 C ATOM 0 H PHE A 34 -21.870 -9.774 -10.873 1.00 44.32 H new ATOM 0 HA PHE A 34 -19.022 -9.184 -11.170 1.00 32.20 H new ATOM 0 HB2 PHE A 34 -19.760 -7.567 -12.794 1.00 11.04 H new ATOM 0 HB3 PHE A 34 -20.633 -9.057 -13.088 1.00 11.04 H new ATOM 0 HD1 PHE A 34 -23.030 -9.237 -12.508 1.00 3.03 H new ATOM 0 HD2 PHE A 34 -20.906 -5.576 -12.034 1.00 64.23 H new ATOM 0 HE1 PHE A 34 -25.160 -8.024 -12.349 1.00 42.03 H new ATOM 0 HE2 PHE A 34 -23.034 -4.358 -11.877 1.00 71.31 H new ATOM 0 HZ PHE A 34 -25.166 -5.581 -12.031 1.00 33.24 H new ATOM 568 N GLU A 35 -18.796 -7.084 -9.829 1.00 73.31 N ATOM 569 CA GLU A 35 -18.614 -6.004 -8.867 1.00 43.53 C ATOM 570 C GLU A 35 -19.445 -4.784 -9.257 1.00 40.30 C ATOM 571 O GLU A 35 -19.501 -4.384 -10.420 1.00 32.12 O ATOM 572 CB GLU A 35 -17.137 -5.618 -8.773 1.00 22.34 C ATOM 573 CG GLU A 35 -16.860 -4.507 -7.774 1.00 43.14 C ATOM 574 CD GLU A 35 -16.590 -5.030 -6.378 1.00 12.42 C ATOM 575 OE1 GLU A 35 -17.169 -6.076 -6.014 1.00 40.00 O ATOM 576 OE2 GLU A 35 -15.802 -4.395 -5.646 1.00 50.25 O ATOM 0 H GLU A 35 -17.951 -7.342 -10.338 1.00 73.31 H new ATOM 0 HA GLU A 35 -18.952 -6.358 -7.893 1.00 43.53 H new ATOM 0 HB2 GLU A 35 -16.557 -6.498 -8.495 1.00 22.34 H new ATOM 0 HB3 GLU A 35 -16.789 -5.305 -9.757 1.00 22.34 H new ATOM 0 HG2 GLU A 35 -16.002 -3.926 -8.112 1.00 43.14 H new ATOM 0 HG3 GLU A 35 -17.713 -3.829 -7.745 1.00 43.14 H new ATOM 583 N PRO A 36 -20.106 -4.177 -8.261 1.00 13.25 N ATOM 584 CA PRO A 36 -20.947 -2.994 -8.473 1.00 25.43 C ATOM 585 C PRO A 36 -20.126 -1.755 -8.814 1.00 41.42 C ATOM 586 O PRO A 36 -19.116 -1.471 -8.171 1.00 62.00 O ATOM 587 CB PRO A 36 -21.652 -2.814 -7.126 1.00 44.45 C ATOM 588 CG PRO A 36 -20.742 -3.450 -6.133 1.00 54.14 C ATOM 589 CD PRO A 36 -20.086 -4.598 -6.849 1.00 43.15 C ATOM 0 HA PRO A 36 -21.630 -3.124 -9.313 1.00 25.43 H new ATOM 0 HB2 PRO A 36 -21.810 -1.759 -6.900 1.00 44.45 H new ATOM 0 HB3 PRO A 36 -22.633 -3.290 -7.126 1.00 44.45 H new ATOM 0 HG2 PRO A 36 -19.999 -2.739 -5.773 1.00 54.14 H new ATOM 0 HG3 PRO A 36 -21.297 -3.799 -5.262 1.00 54.14 H new ATOM 0 HD2 PRO A 36 -19.069 -4.764 -6.494 1.00 43.15 H new ATOM 0 HD3 PRO A 36 -20.632 -5.529 -6.700 1.00 43.15 H new ATOM 597 N SER A 37 -20.568 -1.020 -9.829 1.00 60.02 N ATOM 598 CA SER A 37 -19.873 0.188 -10.258 1.00 1.31 C ATOM 599 C SER A 37 -20.816 1.388 -10.257 1.00 21.42 C ATOM 600 O SER A 37 -20.535 2.411 -9.632 1.00 41.10 O ATOM 601 CB SER A 37 -19.281 -0.007 -11.655 1.00 31.20 C ATOM 602 OG SER A 37 -19.129 1.233 -12.324 1.00 12.12 O ATOM 0 H SER A 37 -21.404 -1.240 -10.370 1.00 60.02 H new ATOM 0 HA SER A 37 -19.065 0.382 -9.552 1.00 1.31 H new ATOM 0 HB2 SER A 37 -18.313 -0.502 -11.577 1.00 31.20 H new ATOM 0 HB3 SER A 37 -19.928 -0.662 -12.239 1.00 31.20 H new ATOM 0 HG SER A 37 -18.747 1.080 -13.214 1.00 12.12 H new ATOM 608 N CYS A 38 -21.935 1.253 -10.960 1.00 51.12 N ATOM 609 CA CYS A 38 -22.920 2.325 -11.042 1.00 11.23 C ATOM 610 C CYS A 38 -24.321 1.761 -11.253 1.00 12.03 C ATOM 611 O CYS A 38 -24.505 0.549 -11.366 1.00 22.21 O ATOM 612 CB CYS A 38 -22.568 3.286 -12.179 1.00 22.33 C ATOM 613 SG CYS A 38 -22.713 2.561 -13.828 1.00 62.42 S ATOM 0 H CYS A 38 -22.183 0.412 -11.481 1.00 51.12 H new ATOM 0 HA CYS A 38 -22.905 2.870 -10.098 1.00 11.23 H new ATOM 0 HB2 CYS A 38 -23.219 4.158 -12.118 1.00 22.33 H new ATOM 0 HB3 CYS A 38 -21.547 3.640 -12.038 1.00 22.33 H new ATOM 0 HG CYS A 38 -22.397 3.450 -14.722 1.00 62.42 H new ATOM 619 N THR A 39 -25.310 2.649 -11.302 1.00 73.33 N ATOM 620 CA THR A 39 -26.695 2.240 -11.496 1.00 41.45 C ATOM 621 C THR A 39 -27.180 2.588 -12.899 1.00 23.31 C ATOM 622 O THR A 39 -27.220 3.758 -13.279 1.00 21.34 O ATOM 623 CB THR A 39 -27.627 2.903 -10.465 1.00 1.14 C ATOM 624 OG1 THR A 39 -27.534 4.329 -10.566 1.00 55.43 O ATOM 625 CG2 THR A 39 -27.268 2.467 -9.052 1.00 63.20 C ATOM 0 H THR A 39 -25.177 3.656 -11.210 1.00 73.33 H new ATOM 0 HA THR A 39 -26.726 1.159 -11.361 1.00 41.45 H new ATOM 0 HB THR A 39 -28.649 2.589 -10.678 1.00 1.14 H new ATOM 0 HG1 THR A 39 -27.351 4.580 -11.495 1.00 55.43 H new ATOM 0 HG21 THR A 39 -27.940 2.948 -8.341 1.00 63.20 H new ATOM 0 HG22 THR A 39 -27.367 1.385 -8.969 1.00 63.20 H new ATOM 0 HG23 THR A 39 -26.240 2.756 -8.832 1.00 63.20 H new ATOM 633 N GLN A 40 -27.548 1.565 -13.663 1.00 43.23 N ATOM 634 CA GLN A 40 -28.030 1.765 -15.026 1.00 20.43 C ATOM 635 C GLN A 40 -29.350 1.034 -15.248 1.00 63.21 C ATOM 636 O GLN A 40 -29.533 -0.093 -14.787 1.00 31.33 O ATOM 637 CB GLN A 40 -26.988 1.279 -16.035 1.00 34.05 C ATOM 638 CG GLN A 40 -25.770 2.183 -16.134 1.00 13.43 C ATOM 639 CD GLN A 40 -25.106 2.120 -17.496 1.00 33.12 C ATOM 640 OE1 GLN A 40 -24.012 1.573 -17.641 1.00 72.21 O ATOM 641 NE2 GLN A 40 -25.765 2.680 -18.503 1.00 72.30 N ATOM 0 H GLN A 40 -27.522 0.591 -13.363 1.00 43.23 H new ATOM 0 HA GLN A 40 -28.197 2.832 -15.173 1.00 20.43 H new ATOM 0 HB2 GLN A 40 -26.664 0.276 -15.756 1.00 34.05 H new ATOM 0 HB3 GLN A 40 -27.454 1.202 -17.017 1.00 34.05 H new ATOM 0 HG2 GLN A 40 -26.067 3.211 -15.926 1.00 13.43 H new ATOM 0 HG3 GLN A 40 -25.048 1.899 -15.368 1.00 13.43 H new ATOM 0 HE21 GLN A 40 -26.669 3.122 -18.338 1.00 72.30 H new ATOM 0 HE22 GLN A 40 -25.367 2.668 -19.442 1.00 72.30 H new ATOM 650 N TYR A 41 -30.267 1.682 -15.956 1.00 63.44 N ATOM 651 CA TYR A 41 -31.571 1.095 -16.238 1.00 74.32 C ATOM 652 C TYR A 41 -31.427 -0.203 -17.027 1.00 65.13 C ATOM 653 O TYR A 41 -31.027 -0.194 -18.192 1.00 20.43 O ATOM 654 CB TYR A 41 -32.442 2.083 -17.017 1.00 2.45 C ATOM 655 CG TYR A 41 -33.882 1.643 -17.155 1.00 52.42 C ATOM 656 CD1 TYR A 41 -34.645 1.333 -16.036 1.00 31.43 C ATOM 657 CD2 TYR A 41 -34.479 1.537 -18.404 1.00 51.44 C ATOM 658 CE1 TYR A 41 -35.961 0.929 -16.157 1.00 5.11 C ATOM 659 CE2 TYR A 41 -35.795 1.136 -18.536 1.00 14.24 C ATOM 660 CZ TYR A 41 -36.531 0.833 -17.409 1.00 50.42 C ATOM 661 OH TYR A 41 -37.841 0.432 -17.536 1.00 2.22 O ATOM 0 H TYR A 41 -30.132 2.615 -16.346 1.00 63.44 H new ATOM 0 HA TYR A 41 -32.051 0.869 -15.286 1.00 74.32 H new ATOM 0 HB2 TYR A 41 -32.413 3.052 -16.518 1.00 2.45 H new ATOM 0 HB3 TYR A 41 -32.017 2.224 -18.011 1.00 2.45 H new ATOM 0 HD1 TYR A 41 -34.202 1.409 -15.054 1.00 31.43 H new ATOM 0 HD2 TYR A 41 -33.905 1.772 -19.288 1.00 51.44 H new ATOM 0 HE1 TYR A 41 -36.539 0.690 -15.277 1.00 5.11 H new ATOM 0 HE2 TYR A 41 -36.244 1.060 -19.515 1.00 14.24 H new ATOM 0 HH TYR A 41 -38.088 0.418 -18.484 1.00 2.22 H new ATOM 671 N THR A 42 -31.754 -1.319 -16.383 1.00 71.20 N ATOM 672 CA THR A 42 -31.661 -2.626 -17.023 1.00 0.44 C ATOM 673 C THR A 42 -33.004 -3.347 -16.997 1.00 64.30 C ATOM 674 O THR A 42 -33.723 -3.301 -16.001 1.00 11.42 O ATOM 675 CB THR A 42 -30.602 -3.510 -16.339 1.00 71.10 C ATOM 676 OG1 THR A 42 -29.508 -2.705 -15.887 1.00 34.05 O ATOM 677 CG2 THR A 42 -30.091 -4.578 -17.294 1.00 24.51 C ATOM 0 H THR A 42 -32.086 -1.344 -15.419 1.00 71.20 H new ATOM 0 HA THR A 42 -31.366 -2.453 -18.058 1.00 0.44 H new ATOM 0 HB THR A 42 -31.068 -4.001 -15.485 1.00 71.10 H new ATOM 0 HG1 THR A 42 -28.840 -3.275 -15.452 1.00 34.05 H new ATOM 0 HG21 THR A 42 -29.344 -5.190 -16.789 1.00 24.51 H new ATOM 0 HG22 THR A 42 -30.921 -5.208 -17.613 1.00 24.51 H new ATOM 0 HG23 THR A 42 -29.641 -4.102 -18.165 1.00 24.51 H new ATOM 685 N GLU A 43 -33.332 -4.014 -18.099 1.00 61.42 N ATOM 686 CA GLU A 43 -34.589 -4.746 -18.202 1.00 20.32 C ATOM 687 C GLU A 43 -34.648 -5.874 -17.176 1.00 25.35 C ATOM 688 O GLU A 43 -33.629 -6.317 -16.645 1.00 32.44 O ATOM 689 CB GLU A 43 -34.760 -5.315 -19.612 1.00 42.22 C ATOM 690 CG GLU A 43 -35.433 -4.354 -20.578 1.00 55.20 C ATOM 691 CD GLU A 43 -34.998 -4.572 -22.014 1.00 65.02 C ATOM 692 OE1 GLU A 43 -33.858 -4.191 -22.352 1.00 25.03 O ATOM 693 OE2 GLU A 43 -35.797 -5.121 -22.801 1.00 21.32 O ATOM 0 H GLU A 43 -32.746 -4.063 -18.932 1.00 61.42 H new ATOM 0 HA GLU A 43 -35.402 -4.050 -17.998 1.00 20.32 H new ATOM 0 HB2 GLU A 43 -33.781 -5.587 -20.006 1.00 42.22 H new ATOM 0 HB3 GLU A 43 -35.347 -6.232 -19.556 1.00 42.22 H new ATOM 0 HG2 GLU A 43 -36.514 -4.472 -20.508 1.00 55.20 H new ATOM 0 HG3 GLU A 43 -35.204 -3.330 -20.284 1.00 55.20 H new ATOM 700 N PRO A 44 -35.868 -6.351 -16.889 1.00 1.00 N ATOM 701 CA PRO A 44 -36.089 -7.433 -15.925 1.00 73.43 C ATOM 702 C PRO A 44 -35.578 -8.776 -16.435 1.00 25.45 C ATOM 703 O PRO A 44 -35.188 -9.642 -15.649 1.00 13.20 O ATOM 704 CB PRO A 44 -37.611 -7.465 -15.771 1.00 12.20 C ATOM 705 CG PRO A 44 -38.133 -6.897 -17.045 1.00 43.04 C ATOM 706 CD PRO A 44 -37.126 -5.870 -17.484 1.00 50.44 C ATOM 0 HA PRO A 44 -35.555 -7.261 -14.990 1.00 73.43 H new ATOM 0 HB2 PRO A 44 -37.972 -8.482 -15.614 1.00 12.20 H new ATOM 0 HB3 PRO A 44 -37.935 -6.876 -14.913 1.00 12.20 H new ATOM 0 HG2 PRO A 44 -38.251 -7.675 -17.799 1.00 43.04 H new ATOM 0 HG3 PRO A 44 -39.113 -6.444 -16.898 1.00 43.04 H new ATOM 0 HD2 PRO A 44 -37.060 -5.811 -18.570 1.00 50.44 H new ATOM 0 HD3 PRO A 44 -37.385 -4.874 -17.125 1.00 50.44 H new ATOM 714 N LEU A 45 -35.578 -8.944 -17.752 1.00 51.22 N ATOM 715 CA LEU A 45 -35.113 -10.182 -18.367 1.00 22.43 C ATOM 716 C LEU A 45 -35.791 -11.393 -17.732 1.00 61.21 C ATOM 717 O LEU A 45 -35.145 -12.194 -17.057 1.00 14.41 O ATOM 718 CB LEU A 45 -33.594 -10.303 -18.229 1.00 60.22 C ATOM 719 CG LEU A 45 -32.961 -11.545 -18.858 1.00 23.42 C ATOM 720 CD1 LEU A 45 -32.463 -11.237 -20.262 1.00 72.33 C ATOM 721 CD2 LEU A 45 -31.823 -12.062 -17.989 1.00 51.44 C ATOM 0 H LEU A 45 -35.895 -8.238 -18.416 1.00 51.22 H new ATOM 0 HA LEU A 45 -35.375 -10.155 -19.425 1.00 22.43 H new ATOM 0 HB2 LEU A 45 -33.137 -9.420 -18.676 1.00 60.22 H new ATOM 0 HB3 LEU A 45 -33.343 -10.289 -17.168 1.00 60.22 H new ATOM 0 HG LEU A 45 -33.722 -12.322 -18.926 1.00 23.42 H new ATOM 0 HD11 LEU A 45 -32.016 -12.132 -20.694 1.00 72.33 H new ATOM 0 HD12 LEU A 45 -33.299 -10.914 -20.882 1.00 72.33 H new ATOM 0 HD13 LEU A 45 -31.717 -10.444 -20.217 1.00 72.33 H new ATOM 0 HD21 LEU A 45 -31.384 -12.946 -18.452 1.00 51.44 H new ATOM 0 HD22 LEU A 45 -31.061 -11.289 -17.889 1.00 51.44 H new ATOM 0 HD23 LEU A 45 -32.207 -12.322 -17.003 1.00 51.44 H new ATOM 733 N MET A 46 -37.094 -11.519 -17.957 1.00 35.32 N ATOM 734 CA MET A 46 -37.859 -12.635 -17.410 1.00 0.24 C ATOM 735 C MET A 46 -39.168 -12.821 -18.170 1.00 70.34 C ATOM 736 O MET A 46 -39.607 -11.930 -18.895 1.00 60.23 O ATOM 737 CB MET A 46 -38.146 -12.405 -15.925 1.00 41.33 C ATOM 738 CG MET A 46 -38.531 -13.671 -15.177 1.00 44.53 C ATOM 739 SD MET A 46 -38.346 -13.505 -13.391 1.00 21.53 S ATOM 740 CE MET A 46 -40.036 -13.162 -12.906 1.00 24.24 C ATOM 0 H MET A 46 -37.643 -10.864 -18.514 1.00 35.32 H new ATOM 0 HA MET A 46 -37.263 -13.541 -17.521 1.00 0.24 H new ATOM 0 HB2 MET A 46 -37.263 -11.970 -15.456 1.00 41.33 H new ATOM 0 HB3 MET A 46 -38.951 -11.676 -15.828 1.00 41.33 H new ATOM 0 HG2 MET A 46 -39.565 -13.925 -15.409 1.00 44.53 H new ATOM 0 HG3 MET A 46 -37.913 -14.498 -15.527 1.00 44.53 H new ATOM 0 HE1 MET A 46 -40.085 -13.034 -11.825 1.00 24.24 H new ATOM 0 HE2 MET A 46 -40.377 -12.250 -13.395 1.00 24.24 H new ATOM 0 HE3 MET A 46 -40.675 -13.993 -13.202 1.00 24.24 H new ATOM 750 N ASN A 47 -39.786 -13.985 -17.999 1.00 62.33 N ATOM 751 CA ASN A 47 -41.045 -14.289 -18.670 1.00 63.02 C ATOM 752 C ASN A 47 -42.108 -13.251 -18.326 1.00 71.31 C ATOM 753 O ASN A 47 -41.905 -12.404 -17.455 1.00 35.12 O ATOM 754 CB ASN A 47 -41.532 -15.685 -18.278 1.00 53.03 C ATOM 755 CG ASN A 47 -40.426 -16.721 -18.338 1.00 35.22 C ATOM 756 OD1 ASN A 47 -39.698 -16.924 -17.366 1.00 31.22 O ATOM 757 ND2 ASN A 47 -40.296 -17.383 -19.481 1.00 70.02 N ATOM 0 H ASN A 47 -39.435 -14.734 -17.401 1.00 62.33 H new ATOM 0 HA ASN A 47 -40.871 -14.262 -19.746 1.00 63.02 H new ATOM 0 HB2 ASN A 47 -41.942 -15.654 -17.269 1.00 53.03 H new ATOM 0 HB3 ASN A 47 -42.343 -15.984 -18.942 1.00 53.03 H new ATOM 0 HD21 ASN A 47 -39.570 -18.093 -19.580 1.00 70.02 H new ATOM 0 HD22 ASN A 47 -40.922 -17.182 -20.261 1.00 70.02 H new ATOM 764 N TRP A 48 -43.241 -13.323 -19.014 1.00 53.00 N ATOM 765 CA TRP A 48 -44.338 -12.390 -18.781 1.00 71.24 C ATOM 766 C TRP A 48 -44.728 -12.365 -17.307 1.00 23.51 C ATOM 767 O TRP A 48 -45.001 -13.407 -16.708 1.00 40.04 O ATOM 768 CB TRP A 48 -45.549 -12.770 -19.635 1.00 54.32 C ATOM 769 CG TRP A 48 -46.444 -11.609 -19.947 1.00 20.21 C ATOM 770 CD1 TRP A 48 -46.077 -10.417 -20.503 1.00 61.34 C ATOM 771 CD2 TRP A 48 -47.855 -11.530 -19.717 1.00 41.52 C ATOM 772 NE1 TRP A 48 -47.174 -9.601 -20.633 1.00 72.45 N ATOM 773 CE2 TRP A 48 -48.278 -10.260 -20.160 1.00 30.22 C ATOM 774 CE3 TRP A 48 -48.803 -12.406 -19.184 1.00 21.31 C ATOM 775 CZ2 TRP A 48 -49.606 -9.850 -20.083 1.00 61.31 C ATOM 776 CZ3 TRP A 48 -50.121 -11.997 -19.108 1.00 2.11 C ATOM 777 CH2 TRP A 48 -50.513 -10.729 -19.556 1.00 44.42 C ATOM 0 H TRP A 48 -43.425 -14.018 -19.738 1.00 53.00 H new ATOM 0 HA TRP A 48 -44.000 -11.393 -19.065 1.00 71.24 H new ATOM 0 HB2 TRP A 48 -45.202 -13.213 -20.568 1.00 54.32 H new ATOM 0 HB3 TRP A 48 -46.126 -13.535 -19.115 1.00 54.32 H new ATOM 0 HD1 TRP A 48 -45.072 -10.154 -20.797 1.00 61.34 H new ATOM 0 HE1 TRP A 48 -47.168 -8.657 -21.019 1.00 72.45 H new ATOM 0 HE3 TRP A 48 -48.511 -13.386 -18.837 1.00 21.31 H new ATOM 0 HZ2 TRP A 48 -49.910 -8.872 -20.427 1.00 61.31 H new ATOM 0 HZ3 TRP A 48 -50.862 -12.667 -18.696 1.00 2.11 H new ATOM 0 HH2 TRP A 48 -51.551 -10.439 -19.484 1.00 44.42 H new ATOM 788 N THR A 49 -44.751 -11.170 -16.725 1.00 14.12 N ATOM 789 CA THR A 49 -45.106 -11.011 -15.321 1.00 45.51 C ATOM 790 C THR A 49 -46.481 -10.370 -15.170 1.00 50.02 C ATOM 791 O THR A 49 -47.153 -10.081 -16.159 1.00 41.23 O ATOM 792 CB THR A 49 -44.068 -10.153 -14.573 1.00 21.32 C ATOM 793 OG1 THR A 49 -44.163 -8.789 -14.997 1.00 65.31 O ATOM 794 CG2 THR A 49 -42.659 -10.671 -14.820 1.00 41.41 C ATOM 0 H THR A 49 -44.528 -10.298 -17.205 1.00 14.12 H new ATOM 0 HA THR A 49 -45.124 -12.010 -14.885 1.00 45.51 H new ATOM 0 HB THR A 49 -44.278 -10.216 -13.505 1.00 21.32 H new ATOM 0 HG1 THR A 49 -43.501 -8.250 -14.516 1.00 65.31 H new ATOM 0 HG21 THR A 49 -41.943 -10.049 -14.282 1.00 41.41 H new ATOM 0 HG22 THR A 49 -42.583 -11.700 -14.468 1.00 41.41 H new ATOM 0 HG23 THR A 49 -42.440 -10.635 -15.887 1.00 41.41 H new ATOM 802 N GLY A 50 -46.893 -10.150 -13.926 1.00 15.42 N ATOM 803 CA GLY A 50 -48.187 -9.544 -13.669 1.00 5.40 C ATOM 804 C GLY A 50 -48.174 -8.041 -13.875 1.00 71.31 C ATOM 805 O GLY A 50 -48.121 -7.563 -15.008 1.00 13.22 O ATOM 0 H GLY A 50 -46.354 -10.380 -13.091 1.00 15.42 H new ATOM 0 HA2 GLY A 50 -48.932 -9.992 -14.327 1.00 5.40 H new ATOM 0 HA3 GLY A 50 -48.492 -9.765 -12.646 1.00 5.40 H new ATOM 809 N SER A 51 -48.225 -7.295 -12.776 1.00 52.20 N ATOM 810 CA SER A 51 -48.225 -5.839 -12.841 1.00 13.43 C ATOM 811 C SER A 51 -47.011 -5.263 -12.118 1.00 71.01 C ATOM 812 O SER A 51 -46.101 -4.719 -12.744 1.00 71.21 O ATOM 813 CB SER A 51 -49.511 -5.279 -12.228 1.00 45.23 C ATOM 814 OG SER A 51 -50.528 -5.150 -13.206 1.00 22.14 O ATOM 0 H SER A 51 -48.267 -7.675 -11.830 1.00 52.20 H new ATOM 0 HA SER A 51 -48.174 -5.547 -13.890 1.00 13.43 H new ATOM 0 HB2 SER A 51 -49.852 -5.936 -11.428 1.00 45.23 H new ATOM 0 HB3 SER A 51 -49.310 -4.307 -11.778 1.00 45.23 H new ATOM 0 HG SER A 51 -51.339 -4.792 -12.789 1.00 22.14 H new ATOM 820 N HIS A 52 -47.005 -5.386 -10.794 1.00 53.21 N ATOM 821 CA HIS A 52 -45.904 -4.879 -9.983 1.00 44.15 C ATOM 822 C HIS A 52 -45.401 -5.948 -9.019 1.00 40.13 C ATOM 823 O HIS A 52 -45.433 -5.765 -7.802 1.00 55.20 O ATOM 824 CB HIS A 52 -46.344 -3.639 -9.205 1.00 23.20 C ATOM 825 CG HIS A 52 -47.068 -2.631 -10.043 1.00 72.04 C ATOM 826 ND1 HIS A 52 -46.506 -2.029 -11.150 1.00 1.44 N ATOM 827 CD2 HIS A 52 -48.317 -2.120 -9.933 1.00 72.42 C ATOM 828 CE1 HIS A 52 -47.377 -1.190 -11.681 1.00 70.15 C ATOM 829 NE2 HIS A 52 -48.485 -1.228 -10.963 1.00 72.24 N ATOM 0 H HIS A 52 -47.751 -5.833 -10.260 1.00 53.21 H new ATOM 0 HA HIS A 52 -45.088 -4.607 -10.653 1.00 44.15 H new ATOM 0 HB2 HIS A 52 -46.990 -3.947 -8.383 1.00 23.20 H new ATOM 0 HB3 HIS A 52 -45.466 -3.168 -8.762 1.00 23.20 H new ATOM 0 HD2 HIS A 52 -49.046 -2.368 -9.176 1.00 72.42 H new ATOM 0 HE1 HIS A 52 -47.211 -0.577 -12.554 1.00 70.15 H new ATOM 0 HE2 HIS A 52 -49.328 -0.683 -11.144 1.00 72.24 H new ATOM 837 N ASP A 53 -44.939 -7.065 -9.571 1.00 33.34 N ATOM 838 CA ASP A 53 -44.430 -8.164 -8.758 1.00 34.21 C ATOM 839 C ASP A 53 -42.934 -8.359 -8.983 1.00 44.01 C ATOM 840 O ASP A 53 -42.418 -9.472 -8.881 1.00 32.20 O ATOM 841 CB ASP A 53 -45.179 -9.458 -9.084 1.00 43.43 C ATOM 842 CG ASP A 53 -45.176 -9.769 -10.568 1.00 74.33 C ATOM 843 OD1 ASP A 53 -46.030 -9.218 -11.292 1.00 51.31 O ATOM 844 OD2 ASP A 53 -44.320 -10.567 -11.005 1.00 33.31 O ATOM 0 H ASP A 53 -44.906 -7.233 -10.577 1.00 33.34 H new ATOM 0 HA ASP A 53 -44.593 -7.913 -7.710 1.00 34.21 H new ATOM 0 HB2 ASP A 53 -44.722 -10.286 -8.541 1.00 43.43 H new ATOM 0 HB3 ASP A 53 -46.208 -9.377 -8.735 1.00 43.43 H new ATOM 849 N THR A 54 -42.240 -7.267 -9.292 1.00 53.51 N ATOM 850 CA THR A 54 -40.804 -7.317 -9.534 1.00 50.25 C ATOM 851 C THR A 54 -40.024 -7.274 -8.226 1.00 13.45 C ATOM 852 O THR A 54 -40.584 -6.994 -7.166 1.00 34.14 O ATOM 853 CB THR A 54 -40.344 -6.152 -10.431 1.00 50.14 C ATOM 854 OG1 THR A 54 -40.748 -4.904 -9.858 1.00 42.11 O ATOM 855 CG2 THR A 54 -40.926 -6.284 -11.831 1.00 34.45 C ATOM 0 H THR A 54 -42.650 -6.337 -9.380 1.00 53.51 H new ATOM 0 HA THR A 54 -40.603 -8.259 -10.043 1.00 50.25 H new ATOM 0 HB THR A 54 -39.257 -6.185 -10.502 1.00 50.14 H new ATOM 0 HG1 THR A 54 -40.450 -4.168 -10.433 1.00 42.11 H new ATOM 0 HG21 THR A 54 -40.587 -5.450 -12.446 1.00 34.45 H new ATOM 0 HG22 THR A 54 -40.594 -7.222 -12.276 1.00 34.45 H new ATOM 0 HG23 THR A 54 -42.015 -6.275 -11.775 1.00 34.45 H new ATOM 863 N LYS A 55 -38.726 -7.550 -8.306 1.00 35.13 N ATOM 864 CA LYS A 55 -37.868 -7.541 -7.128 1.00 20.14 C ATOM 865 C LYS A 55 -36.404 -7.377 -7.523 1.00 24.14 C ATOM 866 O LYS A 55 -35.924 -8.036 -8.445 1.00 25.54 O ATOM 867 CB LYS A 55 -38.050 -8.833 -6.328 1.00 61.34 C ATOM 868 CG LYS A 55 -37.993 -10.089 -7.181 1.00 10.15 C ATOM 869 CD LYS A 55 -39.368 -10.470 -7.703 1.00 34.44 C ATOM 870 CE LYS A 55 -39.401 -11.913 -8.183 1.00 64.45 C ATOM 871 NZ LYS A 55 -38.356 -12.179 -9.210 1.00 64.43 N ATOM 0 H LYS A 55 -38.246 -7.783 -9.175 1.00 35.13 H new ATOM 0 HA LYS A 55 -38.156 -6.693 -6.506 1.00 20.14 H new ATOM 0 HB2 LYS A 55 -37.276 -8.888 -5.562 1.00 61.34 H new ATOM 0 HB3 LYS A 55 -39.009 -8.798 -5.811 1.00 61.34 H new ATOM 0 HG2 LYS A 55 -37.315 -9.930 -8.020 1.00 10.15 H new ATOM 0 HG3 LYS A 55 -37.585 -10.911 -6.593 1.00 10.15 H new ATOM 0 HD2 LYS A 55 -40.109 -10.330 -6.916 1.00 34.44 H new ATOM 0 HD3 LYS A 55 -39.644 -9.806 -8.522 1.00 34.44 H new ATOM 0 HE2 LYS A 55 -39.255 -12.582 -7.335 1.00 64.45 H new ATOM 0 HE3 LYS A 55 -40.384 -12.135 -8.599 1.00 64.45 H new ATOM 0 HZ1 LYS A 55 -38.526 -13.108 -9.646 1.00 64.43 H new ATOM 0 HZ2 LYS A 55 -38.393 -11.441 -9.942 1.00 64.43 H new ATOM 0 HZ3 LYS A 55 -37.418 -12.174 -8.760 1.00 64.43 H new ATOM 885 N GLN A 56 -35.701 -6.497 -6.819 1.00 5.00 N ATOM 886 CA GLN A 56 -34.291 -6.248 -7.097 1.00 63.31 C ATOM 887 C GLN A 56 -33.479 -7.535 -6.988 1.00 71.24 C ATOM 888 O GLN A 56 -33.712 -8.352 -6.098 1.00 24.24 O ATOM 889 CB GLN A 56 -33.736 -5.198 -6.132 1.00 72.41 C ATOM 890 CG GLN A 56 -34.313 -3.809 -6.348 1.00 44.51 C ATOM 891 CD GLN A 56 -34.302 -2.970 -5.085 1.00 13.11 C ATOM 892 OE1 GLN A 56 -33.241 -2.620 -4.567 1.00 33.34 O ATOM 893 NE2 GLN A 56 -35.487 -2.641 -4.583 1.00 60.43 N ATOM 0 H GLN A 56 -36.084 -5.944 -6.052 1.00 5.00 H new ATOM 0 HA GLN A 56 -34.209 -5.873 -8.117 1.00 63.31 H new ATOM 0 HB2 GLN A 56 -33.941 -5.513 -5.109 1.00 72.41 H new ATOM 0 HB3 GLN A 56 -32.652 -5.153 -6.241 1.00 72.41 H new ATOM 0 HG2 GLN A 56 -33.742 -3.299 -7.124 1.00 44.51 H new ATOM 0 HG3 GLN A 56 -35.337 -3.897 -6.712 1.00 44.51 H new ATOM 0 HE21 GLN A 56 -36.341 -2.953 -5.045 1.00 60.43 H new ATOM 0 HE22 GLN A 56 -35.543 -2.076 -3.735 1.00 60.43 H new ATOM 902 N GLN A 57 -32.528 -7.707 -7.900 1.00 70.22 N ATOM 903 CA GLN A 57 -31.683 -8.896 -7.908 1.00 11.24 C ATOM 904 C GLN A 57 -30.297 -8.582 -7.353 1.00 72.31 C ATOM 905 O GLN A 57 -29.903 -7.419 -7.261 1.00 71.52 O ATOM 906 CB GLN A 57 -31.564 -9.454 -9.327 1.00 32.45 C ATOM 907 CG GLN A 57 -30.759 -8.569 -10.263 1.00 61.03 C ATOM 908 CD GLN A 57 -31.032 -8.865 -11.724 1.00 42.33 C ATOM 909 OE1 GLN A 57 -30.289 -9.604 -12.370 1.00 34.52 O ATOM 910 NE2 GLN A 57 -32.103 -8.286 -12.256 1.00 41.30 N ATOM 0 H GLN A 57 -32.323 -7.039 -8.643 1.00 70.22 H new ATOM 0 HA GLN A 57 -32.149 -9.646 -7.269 1.00 11.24 H new ATOM 0 HB2 GLN A 57 -31.100 -10.439 -9.283 1.00 32.45 H new ATOM 0 HB3 GLN A 57 -32.564 -9.591 -9.740 1.00 32.45 H new ATOM 0 HG2 GLN A 57 -30.991 -7.524 -10.058 1.00 61.03 H new ATOM 0 HG3 GLN A 57 -29.696 -8.705 -10.061 1.00 61.03 H new ATOM 0 HE21 GLN A 57 -32.692 -7.680 -11.685 1.00 41.30 H new ATOM 0 HE22 GLN A 57 -32.336 -8.447 -13.236 1.00 41.30 H new ATOM 919 N VAL A 58 -29.562 -9.626 -6.986 1.00 31.44 N ATOM 920 CA VAL A 58 -28.219 -9.462 -6.442 1.00 34.34 C ATOM 921 C VAL A 58 -27.190 -10.210 -7.282 1.00 13.12 C ATOM 922 O VAL A 58 -26.347 -9.598 -7.939 1.00 53.41 O ATOM 923 CB VAL A 58 -28.138 -9.962 -4.987 1.00 13.40 C ATOM 924 CG1 VAL A 58 -26.730 -9.787 -4.439 1.00 53.15 C ATOM 925 CG2 VAL A 58 -29.151 -9.233 -4.117 1.00 12.13 C ATOM 0 H VAL A 58 -29.874 -10.595 -7.055 1.00 31.44 H new ATOM 0 HA VAL A 58 -27.997 -8.395 -6.465 1.00 34.34 H new ATOM 0 HB VAL A 58 -28.378 -11.025 -4.973 1.00 13.40 H new ATOM 0 HG11 VAL A 58 -26.693 -10.146 -3.410 1.00 53.15 H new ATOM 0 HG12 VAL A 58 -26.029 -10.358 -5.048 1.00 53.15 H new ATOM 0 HG13 VAL A 58 -26.458 -8.732 -4.465 1.00 53.15 H new ATOM 0 HG21 VAL A 58 -29.080 -9.598 -3.092 1.00 12.13 H new ATOM 0 HG22 VAL A 58 -28.944 -8.163 -4.136 1.00 12.13 H new ATOM 0 HG23 VAL A 58 -30.156 -9.415 -4.498 1.00 12.13 H new ATOM 935 N CYS A 59 -27.265 -11.536 -7.257 1.00 45.41 N ATOM 936 CA CYS A 59 -26.340 -12.368 -8.017 1.00 44.21 C ATOM 937 C CYS A 59 -26.966 -12.817 -9.333 1.00 11.42 C ATOM 938 O CYS A 59 -28.188 -12.929 -9.444 1.00 73.43 O ATOM 939 CB CYS A 59 -25.925 -13.589 -7.193 1.00 64.03 C ATOM 940 SG CYS A 59 -27.298 -14.673 -6.739 1.00 50.42 S ATOM 0 H CYS A 59 -27.957 -12.058 -6.719 1.00 45.41 H new ATOM 0 HA CYS A 59 -25.456 -11.772 -8.242 1.00 44.21 H new ATOM 0 HB2 CYS A 59 -25.193 -14.165 -7.760 1.00 64.03 H new ATOM 0 HB3 CYS A 59 -25.428 -13.249 -6.284 1.00 64.03 H new ATOM 0 HG CYS A 59 -26.848 -15.677 -6.047 1.00 50.42 H new ATOM 946 N LEU A 60 -26.123 -13.069 -10.328 1.00 53.25 N ATOM 947 CA LEU A 60 -26.595 -13.504 -11.638 1.00 42.32 C ATOM 948 C LEU A 60 -26.395 -15.005 -11.818 1.00 73.12 C ATOM 949 O LEU A 60 -25.322 -15.538 -11.535 1.00 0.43 O ATOM 950 CB LEU A 60 -25.860 -12.744 -12.744 1.00 63.43 C ATOM 951 CG LEU A 60 -26.740 -11.965 -13.723 1.00 25.00 C ATOM 952 CD1 LEU A 60 -25.888 -11.301 -14.794 1.00 20.13 C ATOM 953 CD2 LEU A 60 -27.775 -12.883 -14.355 1.00 42.40 C ATOM 0 H LEU A 60 -25.110 -12.980 -10.253 1.00 53.25 H new ATOM 0 HA LEU A 60 -27.661 -13.288 -11.703 1.00 42.32 H new ATOM 0 HB2 LEU A 60 -25.165 -12.046 -12.277 1.00 63.43 H new ATOM 0 HB3 LEU A 60 -25.263 -13.457 -13.312 1.00 63.43 H new ATOM 0 HG LEU A 60 -27.264 -11.185 -13.170 1.00 25.00 H new ATOM 0 HD11 LEU A 60 -26.531 -10.751 -15.481 1.00 20.13 H new ATOM 0 HD12 LEU A 60 -25.186 -10.612 -14.325 1.00 20.13 H new ATOM 0 HD13 LEU A 60 -25.336 -12.063 -15.344 1.00 20.13 H new ATOM 0 HD21 LEU A 60 -28.392 -12.312 -15.049 1.00 42.40 H new ATOM 0 HD22 LEU A 60 -27.270 -13.684 -14.894 1.00 42.40 H new ATOM 0 HD23 LEU A 60 -28.406 -13.311 -13.576 1.00 42.40 H new ATOM 965 N SER A 61 -27.436 -15.682 -12.293 1.00 71.23 N ATOM 966 CA SER A 61 -27.376 -17.122 -12.510 1.00 34.24 C ATOM 967 C SER A 61 -27.280 -17.445 -13.998 1.00 21.32 C ATOM 968 O SER A 61 -28.025 -16.899 -14.812 1.00 62.01 O ATOM 969 CB SER A 61 -28.608 -17.802 -11.908 1.00 14.21 C ATOM 970 OG SER A 61 -29.073 -17.098 -10.770 1.00 32.10 O ATOM 0 H SER A 61 -28.331 -15.256 -12.535 1.00 71.23 H new ATOM 0 HA SER A 61 -26.482 -17.501 -12.015 1.00 34.24 H new ATOM 0 HB2 SER A 61 -29.400 -17.855 -12.655 1.00 14.21 H new ATOM 0 HB3 SER A 61 -28.362 -18.827 -11.630 1.00 14.21 H new ATOM 0 HG SER A 61 -29.946 -17.453 -10.500 1.00 32.10 H new ATOM 976 N PHE A 62 -26.357 -18.336 -14.345 1.00 44.51 N ATOM 977 CA PHE A 62 -26.161 -18.731 -15.735 1.00 25.01 C ATOM 978 C PHE A 62 -26.365 -20.233 -15.908 1.00 22.11 C ATOM 979 O PHE A 62 -26.226 -21.004 -14.957 1.00 64.12 O ATOM 980 CB PHE A 62 -24.759 -18.337 -16.207 1.00 12.15 C ATOM 981 CG PHE A 62 -24.605 -16.866 -16.464 1.00 45.43 C ATOM 982 CD1 PHE A 62 -25.298 -16.253 -17.497 1.00 31.44 C ATOM 983 CD2 PHE A 62 -23.765 -16.095 -15.675 1.00 40.14 C ATOM 984 CE1 PHE A 62 -25.158 -14.899 -17.736 1.00 60.42 C ATOM 985 CE2 PHE A 62 -23.622 -14.741 -15.910 1.00 44.32 C ATOM 986 CZ PHE A 62 -24.318 -14.142 -16.943 1.00 33.20 C ATOM 0 H PHE A 62 -25.733 -18.798 -13.683 1.00 44.51 H new ATOM 0 HA PHE A 62 -26.901 -18.210 -16.342 1.00 25.01 H new ATOM 0 HB2 PHE A 62 -24.032 -18.645 -15.456 1.00 12.15 H new ATOM 0 HB3 PHE A 62 -24.525 -18.884 -17.120 1.00 12.15 H new ATOM 0 HD1 PHE A 62 -25.955 -16.840 -18.122 1.00 31.44 H new ATOM 0 HD2 PHE A 62 -23.217 -16.558 -14.868 1.00 40.14 H new ATOM 0 HE1 PHE A 62 -25.705 -14.433 -18.542 1.00 60.42 H new ATOM 0 HE2 PHE A 62 -22.967 -14.151 -15.287 1.00 44.32 H new ATOM 0 HZ PHE A 62 -24.205 -13.084 -17.130 1.00 33.20 H new ATOM 996 N THR A 63 -26.696 -20.643 -17.128 1.00 22.15 N ATOM 997 CA THR A 63 -26.921 -22.052 -17.426 1.00 61.31 C ATOM 998 C THR A 63 -25.601 -22.799 -17.578 1.00 71.43 C ATOM 999 O THR A 63 -25.399 -23.854 -16.974 1.00 5.25 O ATOM 1000 CB THR A 63 -27.749 -22.228 -18.712 1.00 75.52 C ATOM 1001 OG1 THR A 63 -28.700 -21.165 -18.832 1.00 53.21 O ATOM 1002 CG2 THR A 63 -28.475 -23.566 -18.709 1.00 65.51 C ATOM 0 H THR A 63 -26.814 -20.019 -17.926 1.00 22.15 H new ATOM 0 HA THR A 63 -27.476 -22.469 -16.586 1.00 61.31 H new ATOM 0 HB THR A 63 -27.068 -22.203 -19.562 1.00 75.52 H new ATOM 0 HG1 THR A 63 -29.409 -21.283 -18.165 1.00 53.21 H new ATOM 0 HG21 THR A 63 -29.053 -23.668 -19.627 1.00 65.51 H new ATOM 0 HG22 THR A 63 -27.747 -24.375 -18.647 1.00 65.51 H new ATOM 0 HG23 THR A 63 -29.145 -23.614 -17.851 1.00 65.51 H new ATOM 1010 N THR A 64 -24.704 -22.248 -18.389 1.00 71.14 N ATOM 1011 CA THR A 64 -23.403 -22.862 -18.621 1.00 61.22 C ATOM 1012 C THR A 64 -22.274 -21.957 -18.143 1.00 65.23 C ATOM 1013 O THR A 64 -22.505 -20.809 -17.763 1.00 34.15 O ATOM 1014 CB THR A 64 -23.191 -23.184 -20.113 1.00 52.45 C ATOM 1015 OG1 THR A 64 -23.935 -22.266 -20.922 1.00 50.42 O ATOM 1016 CG2 THR A 64 -23.624 -24.609 -20.427 1.00 12.50 C ATOM 0 H THR A 64 -24.855 -21.376 -18.897 1.00 71.14 H new ATOM 0 HA THR A 64 -23.386 -23.791 -18.051 1.00 61.22 H new ATOM 0 HB THR A 64 -22.128 -23.087 -20.335 1.00 52.45 H new ATOM 0 HG1 THR A 64 -23.794 -22.476 -21.869 1.00 50.42 H new ATOM 0 HG21 THR A 64 -23.465 -24.813 -21.486 1.00 12.50 H new ATOM 0 HG22 THR A 64 -23.037 -25.307 -19.831 1.00 12.50 H new ATOM 0 HG23 THR A 64 -24.681 -24.729 -20.189 1.00 12.50 H new ATOM 1024 N ARG A 65 -21.052 -22.479 -18.167 1.00 71.53 N ATOM 1025 CA ARG A 65 -19.887 -21.718 -17.735 1.00 41.51 C ATOM 1026 C ARG A 65 -19.547 -20.625 -18.745 1.00 55.31 C ATOM 1027 O ARG A 65 -19.356 -19.466 -18.378 1.00 11.50 O ATOM 1028 CB ARG A 65 -18.685 -22.646 -17.549 1.00 4.01 C ATOM 1029 CG ARG A 65 -17.439 -21.935 -17.044 1.00 51.44 C ATOM 1030 CD ARG A 65 -16.172 -22.605 -17.551 1.00 32.43 C ATOM 1031 NE ARG A 65 -15.061 -22.453 -16.615 1.00 62.33 N ATOM 1032 CZ ARG A 65 -13.959 -23.194 -16.656 1.00 43.50 C ATOM 1033 NH1 ARG A 65 -13.822 -24.134 -17.581 1.00 43.34 N ATOM 1034 NH2 ARG A 65 -12.991 -22.995 -15.770 1.00 12.45 N ATOM 0 H ARG A 65 -20.844 -23.427 -18.481 1.00 71.53 H new ATOM 0 HA ARG A 65 -20.125 -21.247 -16.781 1.00 41.51 H new ATOM 0 HB2 ARG A 65 -18.952 -23.436 -16.847 1.00 4.01 H new ATOM 0 HB3 ARG A 65 -18.458 -23.128 -18.500 1.00 4.01 H new ATOM 0 HG2 ARG A 65 -17.456 -20.894 -17.368 1.00 51.44 H new ATOM 0 HG3 ARG A 65 -17.438 -21.930 -15.954 1.00 51.44 H new ATOM 0 HD2 ARG A 65 -16.364 -23.665 -17.717 1.00 32.43 H new ATOM 0 HD3 ARG A 65 -15.896 -22.176 -18.514 1.00 32.43 H new ATOM 0 HE ARG A 65 -15.135 -21.739 -15.890 1.00 62.33 H new ATOM 0 HH11 ARG A 65 -14.564 -24.290 -18.264 1.00 43.34 H new ATOM 0 HH12 ARG A 65 -12.975 -24.701 -17.610 1.00 43.34 H new ATOM 0 HH21 ARG A 65 -13.093 -22.273 -15.057 1.00 12.45 H new ATOM 0 HH22 ARG A 65 -12.145 -23.564 -15.802 1.00 12.45 H new ATOM 1048 N GLU A 66 -19.474 -21.003 -20.017 1.00 33.52 N ATOM 1049 CA GLU A 66 -19.156 -20.055 -21.078 1.00 22.22 C ATOM 1050 C GLU A 66 -20.076 -18.839 -21.015 1.00 32.33 C ATOM 1051 O GLU A 66 -19.692 -17.735 -21.405 1.00 32.11 O ATOM 1052 CB GLU A 66 -19.277 -20.728 -22.447 1.00 25.24 C ATOM 1053 CG GLU A 66 -18.253 -21.828 -22.677 1.00 13.21 C ATOM 1054 CD GLU A 66 -16.837 -21.378 -22.377 1.00 33.34 C ATOM 1055 OE1 GLU A 66 -16.272 -20.618 -23.190 1.00 62.10 O ATOM 1056 OE2 GLU A 66 -16.294 -21.787 -21.329 1.00 63.21 O ATOM 0 H GLU A 66 -19.631 -21.959 -20.338 1.00 33.52 H new ATOM 0 HA GLU A 66 -18.129 -19.720 -20.935 1.00 22.22 H new ATOM 0 HB2 GLU A 66 -20.278 -21.148 -22.549 1.00 25.24 H new ATOM 0 HB3 GLU A 66 -19.167 -19.972 -23.225 1.00 25.24 H new ATOM 0 HG2 GLU A 66 -18.499 -22.685 -22.050 1.00 13.21 H new ATOM 0 HG3 GLU A 66 -18.312 -22.164 -23.712 1.00 13.21 H new ATOM 1063 N LEU A 67 -21.291 -19.049 -20.521 1.00 71.40 N ATOM 1064 CA LEU A 67 -22.267 -17.971 -20.406 1.00 12.52 C ATOM 1065 C LEU A 67 -21.745 -16.858 -19.503 1.00 72.01 C ATOM 1066 O LEU A 67 -21.877 -15.675 -19.818 1.00 74.34 O ATOM 1067 CB LEU A 67 -23.589 -18.510 -19.858 1.00 10.25 C ATOM 1068 CG LEU A 67 -24.855 -18.036 -20.572 1.00 62.35 C ATOM 1069 CD1 LEU A 67 -24.868 -16.519 -20.687 1.00 63.14 C ATOM 1070 CD2 LEU A 67 -24.962 -18.677 -21.949 1.00 35.24 C ATOM 0 H LEU A 67 -21.624 -19.956 -20.194 1.00 71.40 H new ATOM 0 HA LEU A 67 -22.435 -17.558 -21.401 1.00 12.52 H new ATOM 0 HB2 LEU A 67 -23.559 -19.599 -19.899 1.00 10.25 H new ATOM 0 HB3 LEU A 67 -23.663 -18.232 -18.807 1.00 10.25 H new ATOM 0 HG LEU A 67 -25.718 -18.343 -19.981 1.00 62.35 H new ATOM 0 HD11 LEU A 67 -25.777 -16.201 -21.198 1.00 63.14 H new ATOM 0 HD12 LEU A 67 -24.839 -16.078 -19.690 1.00 63.14 H new ATOM 0 HD13 LEU A 67 -23.998 -16.190 -21.255 1.00 63.14 H new ATOM 0 HD21 LEU A 67 -25.869 -18.328 -22.443 1.00 35.24 H new ATOM 0 HD22 LEU A 67 -24.094 -18.401 -22.547 1.00 35.24 H new ATOM 0 HD23 LEU A 67 -25.000 -19.761 -21.844 1.00 35.24 H new ATOM 1082 N ALA A 68 -21.149 -17.244 -18.380 1.00 31.24 N ATOM 1083 CA ALA A 68 -20.603 -16.280 -17.433 1.00 3.31 C ATOM 1084 C ALA A 68 -19.469 -15.476 -18.061 1.00 72.52 C ATOM 1085 O ALA A 68 -19.460 -14.246 -17.999 1.00 22.44 O ATOM 1086 CB ALA A 68 -20.118 -16.989 -16.177 1.00 51.13 C ATOM 0 H ALA A 68 -21.032 -18.219 -18.104 1.00 31.24 H new ATOM 0 HA ALA A 68 -21.398 -15.586 -17.160 1.00 3.31 H new ATOM 0 HB1 ALA A 68 -19.713 -16.256 -15.479 1.00 51.13 H new ATOM 0 HB2 ALA A 68 -20.952 -17.513 -15.710 1.00 51.13 H new ATOM 0 HB3 ALA A 68 -19.341 -17.707 -16.441 1.00 51.13 H new ATOM 1092 N ILE A 69 -18.516 -16.179 -18.663 1.00 23.31 N ATOM 1093 CA ILE A 69 -17.378 -15.530 -19.302 1.00 43.21 C ATOM 1094 C ILE A 69 -17.823 -14.679 -20.485 1.00 41.42 C ATOM 1095 O ILE A 69 -17.227 -13.642 -20.777 1.00 75.25 O ATOM 1096 CB ILE A 69 -16.342 -16.561 -19.787 1.00 63.42 C ATOM 1097 CG1 ILE A 69 -15.824 -17.390 -18.609 1.00 51.31 C ATOM 1098 CG2 ILE A 69 -15.191 -15.862 -20.495 1.00 63.23 C ATOM 1099 CD1 ILE A 69 -16.562 -18.697 -18.421 1.00 14.34 C ATOM 0 H ILE A 69 -18.509 -17.197 -18.722 1.00 23.31 H new ATOM 0 HA ILE A 69 -16.917 -14.889 -18.550 1.00 43.21 H new ATOM 0 HB ILE A 69 -16.825 -17.233 -20.496 1.00 63.42 H new ATOM 0 HG12 ILE A 69 -14.765 -17.598 -18.759 1.00 51.31 H new ATOM 0 HG13 ILE A 69 -15.906 -16.801 -17.696 1.00 51.31 H new ATOM 0 HG21 ILE A 69 -14.467 -16.604 -20.832 1.00 63.23 H new ATOM 0 HG22 ILE A 69 -15.573 -15.311 -21.355 1.00 63.23 H new ATOM 0 HG23 ILE A 69 -14.707 -15.169 -19.806 1.00 63.23 H new ATOM 0 HD11 ILE A 69 -16.143 -19.232 -17.569 1.00 14.34 H new ATOM 0 HD12 ILE A 69 -17.618 -18.496 -18.239 1.00 14.34 H new ATOM 0 HD13 ILE A 69 -16.458 -19.306 -19.319 1.00 14.34 H new ATOM 1111 N ALA A 70 -18.876 -15.123 -21.164 1.00 52.31 N ATOM 1112 CA ALA A 70 -19.405 -14.399 -22.314 1.00 32.53 C ATOM 1113 C ALA A 70 -19.940 -13.032 -21.903 1.00 44.12 C ATOM 1114 O ALA A 70 -20.002 -12.110 -22.716 1.00 43.14 O ATOM 1115 CB ALA A 70 -20.497 -15.213 -22.993 1.00 33.14 C ATOM 0 H ALA A 70 -19.380 -15.981 -20.938 1.00 52.31 H new ATOM 0 HA ALA A 70 -18.590 -14.244 -23.021 1.00 32.53 H new ATOM 0 HB1 ALA A 70 -20.883 -14.661 -23.850 1.00 33.14 H new ATOM 0 HB2 ALA A 70 -20.085 -16.164 -23.330 1.00 33.14 H new ATOM 0 HB3 ALA A 70 -21.306 -15.398 -22.286 1.00 33.14 H new ATOM 1121 N TYR A 71 -20.325 -12.908 -20.639 1.00 0.03 N ATOM 1122 CA TYR A 71 -20.858 -11.653 -20.122 1.00 15.24 C ATOM 1123 C TYR A 71 -19.731 -10.684 -19.774 1.00 55.25 C ATOM 1124 O TYR A 71 -19.754 -9.520 -20.172 1.00 52.04 O ATOM 1125 CB TYR A 71 -21.721 -11.912 -18.885 1.00 51.14 C ATOM 1126 CG TYR A 71 -22.552 -10.720 -18.467 1.00 12.31 C ATOM 1127 CD1 TYR A 71 -23.336 -10.036 -19.387 1.00 70.41 C ATOM 1128 CD2 TYR A 71 -22.553 -10.278 -17.149 1.00 73.32 C ATOM 1129 CE1 TYR A 71 -24.096 -8.947 -19.009 1.00 43.34 C ATOM 1130 CE2 TYR A 71 -23.312 -9.190 -16.761 1.00 70.40 C ATOM 1131 CZ TYR A 71 -24.080 -8.527 -17.695 1.00 33.02 C ATOM 1132 OH TYR A 71 -24.837 -7.442 -17.314 1.00 20.43 O ATOM 0 H TYR A 71 -20.278 -13.661 -19.953 1.00 0.03 H new ATOM 0 HA TYR A 71 -21.474 -11.202 -20.900 1.00 15.24 H new ATOM 0 HB2 TYR A 71 -22.383 -12.754 -19.084 1.00 51.14 H new ATOM 0 HB3 TYR A 71 -21.076 -12.203 -18.056 1.00 51.14 H new ATOM 0 HD1 TYR A 71 -23.351 -10.362 -20.417 1.00 70.41 H new ATOM 0 HD2 TYR A 71 -21.950 -10.794 -16.416 1.00 73.32 H new ATOM 0 HE1 TYR A 71 -24.700 -8.427 -19.738 1.00 43.34 H new ATOM 0 HE2 TYR A 71 -23.304 -8.861 -15.732 1.00 70.40 H new ATOM 0 HH TYR A 71 -24.714 -7.278 -16.356 1.00 20.43 H new ATOM 1142 N ALA A 72 -18.745 -11.175 -19.031 1.00 72.31 N ATOM 1143 CA ALA A 72 -17.608 -10.356 -18.632 1.00 43.04 C ATOM 1144 C ALA A 72 -16.795 -9.917 -19.845 1.00 61.25 C ATOM 1145 O ALA A 72 -16.560 -8.727 -20.051 1.00 24.23 O ATOM 1146 CB ALA A 72 -16.727 -11.115 -17.651 1.00 73.51 C ATOM 0 H ALA A 72 -18.711 -12.137 -18.693 1.00 72.31 H new ATOM 0 HA ALA A 72 -17.992 -9.462 -18.141 1.00 43.04 H new ATOM 0 HB1 ALA A 72 -15.882 -10.490 -17.362 1.00 73.51 H new ATOM 0 HB2 ALA A 72 -17.307 -11.373 -16.765 1.00 73.51 H new ATOM 0 HB3 ALA A 72 -16.360 -12.027 -18.122 1.00 73.51 H new ATOM 1152 N VAL A 73 -16.368 -10.888 -20.648 1.00 10.42 N ATOM 1153 CA VAL A 73 -15.581 -10.601 -21.842 1.00 74.23 C ATOM 1154 C VAL A 73 -16.266 -9.554 -22.713 1.00 62.12 C ATOM 1155 O VAL A 73 -15.605 -8.751 -23.371 1.00 74.21 O ATOM 1156 CB VAL A 73 -15.347 -11.874 -22.678 1.00 1.03 C ATOM 1157 CG1 VAL A 73 -14.563 -11.547 -23.940 1.00 13.03 C ATOM 1158 CG2 VAL A 73 -14.627 -12.929 -21.851 1.00 43.21 C ATOM 0 H VAL A 73 -16.554 -11.879 -20.493 1.00 10.42 H new ATOM 0 HA VAL A 73 -14.620 -10.215 -21.503 1.00 74.23 H new ATOM 0 HB VAL A 73 -16.315 -12.277 -22.975 1.00 1.03 H new ATOM 0 HG11 VAL A 73 -14.407 -12.458 -24.518 1.00 13.03 H new ATOM 0 HG12 VAL A 73 -15.122 -10.828 -24.539 1.00 13.03 H new ATOM 0 HG13 VAL A 73 -13.598 -11.120 -23.668 1.00 13.03 H new ATOM 0 HG21 VAL A 73 -14.470 -13.821 -22.457 1.00 43.21 H new ATOM 0 HG22 VAL A 73 -13.664 -12.539 -21.523 1.00 43.21 H new ATOM 0 HG23 VAL A 73 -15.231 -13.183 -20.980 1.00 43.21 H new ATOM 1168 N ALA A 74 -17.595 -9.568 -22.711 1.00 71.42 N ATOM 1169 CA ALA A 74 -18.369 -8.617 -23.500 1.00 35.01 C ATOM 1170 C ALA A 74 -17.921 -7.186 -23.229 1.00 40.42 C ATOM 1171 O ALA A 74 -18.008 -6.321 -24.102 1.00 75.11 O ATOM 1172 CB ALA A 74 -19.854 -8.773 -23.203 1.00 44.11 C ATOM 0 H ALA A 74 -18.158 -10.227 -22.172 1.00 71.42 H new ATOM 0 HA ALA A 74 -18.195 -8.830 -24.555 1.00 35.01 H new ATOM 0 HB1 ALA A 74 -20.421 -8.057 -23.798 1.00 44.11 H new ATOM 0 HB2 ALA A 74 -20.171 -9.785 -23.454 1.00 44.11 H new ATOM 0 HB3 ALA A 74 -20.035 -8.588 -22.144 1.00 44.11 H new ATOM 1178 N HIS A 75 -17.441 -6.940 -22.014 1.00 34.20 N ATOM 1179 CA HIS A 75 -16.978 -5.612 -21.628 1.00 55.41 C ATOM 1180 C HIS A 75 -15.526 -5.656 -21.165 1.00 3.23 C ATOM 1181 O HIS A 75 -15.080 -4.800 -20.399 1.00 72.23 O ATOM 1182 CB HIS A 75 -17.863 -5.043 -20.519 1.00 11.54 C ATOM 1183 CG HIS A 75 -19.109 -4.383 -21.024 1.00 23.12 C ATOM 1184 ND1 HIS A 75 -19.170 -3.047 -21.358 1.00 74.04 N ATOM 1185 CD2 HIS A 75 -20.345 -4.885 -21.253 1.00 44.43 C ATOM 1186 CE1 HIS A 75 -20.391 -2.754 -21.771 1.00 34.12 C ATOM 1187 NE2 HIS A 75 -21.124 -3.852 -21.716 1.00 61.42 N ATOM 0 H HIS A 75 -17.363 -7.643 -21.280 1.00 34.20 H new ATOM 0 HA HIS A 75 -17.042 -4.964 -22.502 1.00 55.41 H new ATOM 0 HB2 HIS A 75 -18.139 -5.848 -19.837 1.00 11.54 H new ATOM 0 HB3 HIS A 75 -17.287 -4.320 -19.942 1.00 11.54 H new ATOM 0 HD2 HIS A 75 -20.660 -5.907 -21.100 1.00 44.43 H new ATOM 0 HE1 HIS A 75 -20.732 -1.783 -22.098 1.00 34.12 H new ATOM 0 HE2 HIS A 75 -22.108 -3.922 -21.975 1.00 61.42 H new ATOM 1195 N LYS A 76 -14.791 -6.658 -21.634 1.00 24.34 N ATOM 1196 CA LYS A 76 -13.387 -6.814 -21.269 1.00 74.41 C ATOM 1197 C LYS A 76 -13.212 -6.783 -19.754 1.00 73.14 C ATOM 1198 O LYS A 76 -12.299 -6.137 -19.238 1.00 53.44 O ATOM 1199 CB LYS A 76 -12.545 -5.710 -21.913 1.00 71.34 C ATOM 1200 CG LYS A 76 -12.582 -5.725 -23.432 1.00 12.22 C ATOM 1201 CD LYS A 76 -11.572 -6.703 -24.005 1.00 32.01 C ATOM 1202 CE LYS A 76 -11.920 -7.090 -25.434 1.00 63.34 C ATOM 1203 NZ LYS A 76 -11.479 -6.057 -26.412 1.00 4.00 N ATOM 0 H LYS A 76 -15.144 -7.375 -22.268 1.00 24.34 H new ATOM 0 HA LYS A 76 -13.048 -7.782 -21.637 1.00 74.41 H new ATOM 0 HB2 LYS A 76 -12.898 -4.742 -21.559 1.00 71.34 H new ATOM 0 HB3 LYS A 76 -11.512 -5.813 -21.582 1.00 71.34 H new ATOM 0 HG2 LYS A 76 -13.583 -5.995 -23.770 1.00 12.22 H new ATOM 0 HG3 LYS A 76 -12.376 -4.724 -23.812 1.00 12.22 H new ATOM 0 HD2 LYS A 76 -10.578 -6.257 -23.979 1.00 32.01 H new ATOM 0 HD3 LYS A 76 -11.537 -7.597 -23.383 1.00 32.01 H new ATOM 0 HE2 LYS A 76 -11.451 -8.043 -25.676 1.00 63.34 H new ATOM 0 HE3 LYS A 76 -12.997 -7.234 -25.519 1.00 63.34 H new ATOM 0 HZ1 LYS A 76 -11.735 -6.358 -27.374 1.00 4.00 H new ATOM 0 HZ2 LYS A 76 -11.946 -5.153 -26.197 1.00 4.00 H new ATOM 0 HZ3 LYS A 76 -10.448 -5.937 -26.349 1.00 4.00 H new ATOM 1217 N ILE A 77 -14.091 -7.485 -19.047 1.00 12.44 N ATOM 1218 CA ILE A 77 -14.031 -7.539 -17.591 1.00 3.21 C ATOM 1219 C ILE A 77 -13.260 -8.766 -17.118 1.00 13.21 C ATOM 1220 O ILE A 77 -13.386 -9.849 -17.690 1.00 11.22 O ATOM 1221 CB ILE A 77 -15.441 -7.560 -16.970 1.00 63.23 C ATOM 1222 CG1 ILE A 77 -16.235 -6.329 -17.412 1.00 64.43 C ATOM 1223 CG2 ILE A 77 -15.350 -7.623 -15.453 1.00 50.15 C ATOM 1224 CD1 ILE A 77 -17.705 -6.402 -17.064 1.00 21.22 C ATOM 0 H ILE A 77 -14.853 -8.024 -19.458 1.00 12.44 H new ATOM 0 HA ILE A 77 -13.512 -6.639 -17.262 1.00 3.21 H new ATOM 0 HB ILE A 77 -15.964 -8.450 -17.320 1.00 63.23 H new ATOM 0 HG12 ILE A 77 -15.804 -5.442 -16.948 1.00 64.43 H new ATOM 0 HG13 ILE A 77 -16.131 -6.207 -18.490 1.00 64.43 H new ATOM 0 HG21 ILE A 77 -16.354 -7.637 -15.029 1.00 50.15 H new ATOM 0 HG22 ILE A 77 -14.818 -8.528 -15.158 1.00 50.15 H new ATOM 0 HG23 ILE A 77 -14.812 -6.749 -15.084 1.00 50.15 H new ATOM 0 HD11 ILE A 77 -18.205 -5.496 -17.407 1.00 21.22 H new ATOM 0 HD12 ILE A 77 -18.151 -7.270 -17.550 1.00 21.22 H new ATOM 0 HD13 ILE A 77 -17.819 -6.493 -15.984 1.00 21.22 H new ATOM 1236 N ASP A 78 -12.464 -8.589 -16.069 1.00 33.31 N ATOM 1237 CA ASP A 78 -11.675 -9.684 -15.516 1.00 3.04 C ATOM 1238 C ASP A 78 -12.566 -10.679 -14.780 1.00 14.54 C ATOM 1239 O ASP A 78 -13.063 -10.394 -13.690 1.00 11.12 O ATOM 1240 CB ASP A 78 -10.604 -9.140 -14.568 1.00 33.21 C ATOM 1241 CG ASP A 78 -9.316 -8.793 -15.287 1.00 64.21 C ATOM 1242 OD1 ASP A 78 -8.604 -9.726 -15.713 1.00 73.42 O ATOM 1243 OD2 ASP A 78 -9.020 -7.588 -15.425 1.00 70.15 O ATOM 0 H ASP A 78 -12.348 -7.699 -15.585 1.00 33.31 H new ATOM 0 HA ASP A 78 -11.189 -10.203 -16.342 1.00 3.04 H new ATOM 0 HB2 ASP A 78 -10.986 -8.252 -14.064 1.00 33.21 H new ATOM 0 HB3 ASP A 78 -10.397 -9.880 -13.795 1.00 33.21 H new ATOM 1248 N TYR A 79 -12.764 -11.845 -15.382 1.00 74.52 N ATOM 1249 CA TYR A 79 -13.599 -12.882 -14.786 1.00 23.44 C ATOM 1250 C TYR A 79 -12.743 -13.953 -14.117 1.00 45.21 C ATOM 1251 O TYR A 79 -11.727 -14.385 -14.662 1.00 44.24 O ATOM 1252 CB TYR A 79 -14.494 -13.521 -15.849 1.00 42.32 C ATOM 1253 CG TYR A 79 -13.726 -14.164 -16.981 1.00 64.13 C ATOM 1254 CD1 TYR A 79 -13.296 -15.483 -16.894 1.00 50.44 C ATOM 1255 CD2 TYR A 79 -13.427 -13.453 -18.137 1.00 41.31 C ATOM 1256 CE1 TYR A 79 -12.593 -16.074 -17.927 1.00 14.42 C ATOM 1257 CE2 TYR A 79 -12.726 -14.036 -19.174 1.00 63.31 C ATOM 1258 CZ TYR A 79 -12.311 -15.347 -19.064 1.00 71.12 C ATOM 1259 OH TYR A 79 -11.611 -15.933 -20.094 1.00 3.41 O ATOM 0 H TYR A 79 -12.358 -12.097 -16.283 1.00 74.52 H new ATOM 0 HA TYR A 79 -14.226 -12.415 -14.026 1.00 23.44 H new ATOM 0 HB2 TYR A 79 -15.125 -14.273 -15.376 1.00 42.32 H new ATOM 0 HB3 TYR A 79 -15.158 -12.760 -16.258 1.00 42.32 H new ATOM 0 HD1 TYR A 79 -13.515 -16.055 -16.005 1.00 50.44 H new ATOM 0 HD2 TYR A 79 -13.749 -12.426 -18.226 1.00 41.31 H new ATOM 0 HE1 TYR A 79 -12.266 -17.100 -17.844 1.00 14.42 H new ATOM 0 HE2 TYR A 79 -12.504 -13.469 -20.066 1.00 63.31 H new ATOM 0 HH TYR A 79 -11.497 -15.286 -20.821 1.00 3.41 H new ATOM 1269 N THR A 80 -13.161 -14.379 -12.929 1.00 65.40 N ATOM 1270 CA THR A 80 -12.434 -15.399 -12.183 1.00 43.14 C ATOM 1271 C THR A 80 -13.286 -16.646 -11.983 1.00 53.43 C ATOM 1272 O THR A 80 -14.482 -16.555 -11.705 1.00 14.12 O ATOM 1273 CB THR A 80 -11.982 -14.873 -10.808 1.00 34.53 C ATOM 1274 OG1 THR A 80 -11.424 -15.941 -10.034 1.00 73.22 O ATOM 1275 CG2 THR A 80 -13.149 -14.251 -10.056 1.00 21.42 C ATOM 0 H THR A 80 -14.000 -14.033 -12.463 1.00 65.40 H new ATOM 0 HA THR A 80 -11.554 -15.655 -12.773 1.00 43.14 H new ATOM 0 HB THR A 80 -11.224 -14.106 -10.968 1.00 34.53 H new ATOM 0 HG1 THR A 80 -11.137 -15.598 -9.162 1.00 73.22 H new ATOM 0 HG21 THR A 80 -12.805 -13.887 -9.088 1.00 21.42 H new ATOM 0 HG22 THR A 80 -13.553 -13.420 -10.634 1.00 21.42 H new ATOM 0 HG23 THR A 80 -13.926 -15.000 -9.907 1.00 21.42 H new ATOM 1283 N VAL A 81 -12.664 -17.812 -12.126 1.00 42.13 N ATOM 1284 CA VAL A 81 -13.366 -19.079 -11.959 1.00 10.33 C ATOM 1285 C VAL A 81 -13.150 -19.647 -10.561 1.00 3.03 C ATOM 1286 O VAL A 81 -12.018 -19.909 -10.153 1.00 12.02 O ATOM 1287 CB VAL A 81 -12.905 -20.117 -12.999 1.00 31.20 C ATOM 1288 CG1 VAL A 81 -13.372 -19.722 -14.392 1.00 14.23 C ATOM 1289 CG2 VAL A 81 -11.392 -20.275 -12.960 1.00 40.14 C ATOM 0 H VAL A 81 -11.675 -17.905 -12.357 1.00 42.13 H new ATOM 0 HA VAL A 81 -14.427 -18.875 -12.105 1.00 10.33 H new ATOM 0 HB VAL A 81 -13.354 -21.078 -12.750 1.00 31.20 H new ATOM 0 HG11 VAL A 81 -13.037 -20.467 -15.113 1.00 14.23 H new ATOM 0 HG12 VAL A 81 -14.460 -19.665 -14.408 1.00 14.23 H new ATOM 0 HG13 VAL A 81 -12.954 -18.750 -14.654 1.00 14.23 H new ATOM 0 HG21 VAL A 81 -11.084 -21.012 -13.701 1.00 40.14 H new ATOM 0 HG22 VAL A 81 -10.920 -19.318 -13.182 1.00 40.14 H new ATOM 0 HG23 VAL A 81 -11.086 -20.608 -11.968 1.00 40.14 H new ATOM 1299 N LEU A 82 -14.242 -19.835 -9.829 1.00 55.34 N ATOM 1300 CA LEU A 82 -14.175 -20.372 -8.475 1.00 61.31 C ATOM 1301 C LEU A 82 -14.720 -21.796 -8.426 1.00 51.22 C ATOM 1302 O LEU A 82 -15.905 -22.025 -8.672 1.00 61.41 O ATOM 1303 CB LEU A 82 -14.957 -19.480 -7.511 1.00 74.33 C ATOM 1304 CG LEU A 82 -14.289 -18.161 -7.124 1.00 23.24 C ATOM 1305 CD1 LEU A 82 -15.326 -17.155 -6.651 1.00 54.53 C ATOM 1306 CD2 LEU A 82 -13.238 -18.391 -6.047 1.00 73.40 C ATOM 0 H LEU A 82 -15.186 -19.623 -10.151 1.00 55.34 H new ATOM 0 HA LEU A 82 -13.128 -20.393 -8.171 1.00 61.31 H new ATOM 0 HB2 LEU A 82 -15.925 -19.256 -7.959 1.00 74.33 H new ATOM 0 HB3 LEU A 82 -15.151 -20.046 -6.600 1.00 74.33 H new ATOM 0 HG LEU A 82 -13.795 -17.755 -8.006 1.00 23.24 H new ATOM 0 HD11 LEU A 82 -14.831 -16.222 -6.380 1.00 54.53 H new ATOM 0 HD12 LEU A 82 -16.042 -16.967 -7.451 1.00 54.53 H new ATOM 0 HD13 LEU A 82 -15.850 -17.554 -5.782 1.00 54.53 H new ATOM 0 HD21 LEU A 82 -12.773 -17.441 -5.784 1.00 73.40 H new ATOM 0 HD22 LEU A 82 -13.710 -18.821 -5.164 1.00 73.40 H new ATOM 0 HD23 LEU A 82 -12.477 -19.076 -6.421 1.00 73.40 H new ATOM 1318 N GLN A 83 -13.850 -22.747 -8.105 1.00 72.45 N ATOM 1319 CA GLN A 83 -14.246 -24.149 -8.023 1.00 43.44 C ATOM 1320 C GLN A 83 -13.783 -24.768 -6.709 1.00 12.01 C ATOM 1321 O GLN A 83 -12.795 -24.331 -6.118 1.00 71.35 O ATOM 1322 CB GLN A 83 -13.669 -24.934 -9.202 1.00 20.43 C ATOM 1323 CG GLN A 83 -13.895 -24.264 -10.548 1.00 72.11 C ATOM 1324 CD GLN A 83 -13.893 -25.252 -11.699 1.00 32.33 C ATOM 1325 OE1 GLN A 83 -14.846 -26.009 -11.884 1.00 22.23 O ATOM 1326 NE2 GLN A 83 -12.819 -25.249 -12.479 1.00 70.42 N ATOM 0 H GLN A 83 -12.867 -22.573 -7.897 1.00 72.45 H new ATOM 0 HA GLN A 83 -15.334 -24.196 -8.063 1.00 43.44 H new ATOM 0 HB2 GLN A 83 -12.598 -25.070 -9.048 1.00 20.43 H new ATOM 0 HB3 GLN A 83 -14.117 -25.928 -9.220 1.00 20.43 H new ATOM 0 HG2 GLN A 83 -14.847 -23.734 -10.531 1.00 72.11 H new ATOM 0 HG3 GLN A 83 -13.118 -23.518 -10.713 1.00 72.11 H new ATOM 0 HE21 GLN A 83 -12.052 -24.604 -12.288 1.00 70.42 H new ATOM 0 HE22 GLN A 83 -12.761 -25.892 -13.269 1.00 70.42 H new ATOM 1335 N ASP A 84 -14.504 -25.788 -6.256 1.00 10.15 N ATOM 1336 CA ASP A 84 -14.168 -26.469 -5.011 1.00 24.04 C ATOM 1337 C ASP A 84 -12.733 -26.986 -5.044 1.00 42.32 C ATOM 1338 O ASP A 84 -12.311 -27.608 -6.018 1.00 31.32 O ATOM 1339 CB ASP A 84 -15.134 -27.627 -4.760 1.00 13.12 C ATOM 1340 CG ASP A 84 -14.976 -28.224 -3.375 1.00 72.15 C ATOM 1341 OD1 ASP A 84 -15.520 -27.643 -2.412 1.00 61.14 O ATOM 1342 OD2 ASP A 84 -14.310 -29.273 -3.254 1.00 41.21 O ATOM 0 H ASP A 84 -15.325 -26.161 -6.732 1.00 10.15 H new ATOM 0 HA ASP A 84 -14.258 -25.749 -4.198 1.00 24.04 H new ATOM 0 HB2 ASP A 84 -16.158 -27.276 -4.886 1.00 13.12 H new ATOM 0 HB3 ASP A 84 -14.969 -28.403 -5.508 1.00 13.12 H new ATOM 1347 N ASN A 85 -11.988 -26.721 -3.976 1.00 54.03 N ATOM 1348 CA ASN A 85 -10.600 -27.159 -3.884 1.00 21.10 C ATOM 1349 C ASN A 85 -9.794 -26.662 -5.080 1.00 62.23 C ATOM 1350 O ASN A 85 -9.389 -27.432 -5.952 1.00 31.32 O ATOM 1351 CB ASN A 85 -10.529 -28.684 -3.805 1.00 21.45 C ATOM 1352 CG ASN A 85 -9.150 -29.180 -3.410 1.00 10.52 C ATOM 1353 OD1 ASN A 85 -8.298 -28.400 -2.983 1.00 30.53 O ATOM 1354 ND2 ASN A 85 -8.926 -30.480 -3.551 1.00 22.02 N ATOM 0 H ASN A 85 -12.322 -26.205 -3.162 1.00 54.03 H new ATOM 0 HA ASN A 85 -10.170 -26.735 -2.976 1.00 21.10 H new ATOM 0 HB2 ASN A 85 -11.262 -29.042 -3.082 1.00 21.45 H new ATOM 0 HB3 ASN A 85 -10.802 -29.108 -4.771 1.00 21.45 H new ATOM 0 HD21 ASN A 85 -8.018 -30.871 -3.301 1.00 22.02 H new ATOM 0 HD22 ASN A 85 -9.662 -31.088 -3.909 1.00 22.02 H new ATOM 1361 N PRO A 86 -9.553 -25.344 -5.125 1.00 44.51 N ATOM 1362 CA PRO A 86 -8.792 -24.714 -6.209 1.00 42.11 C ATOM 1363 C PRO A 86 -7.312 -25.082 -6.168 1.00 2.42 C ATOM 1364 O PRO A 86 -6.722 -25.203 -5.094 1.00 1.41 O ATOM 1365 CB PRO A 86 -8.978 -23.217 -5.950 1.00 62.10 C ATOM 1366 CG PRO A 86 -9.251 -23.116 -4.488 1.00 71.04 C ATOM 1367 CD PRO A 86 -10.004 -24.365 -4.122 1.00 32.24 C ATOM 0 HA PRO A 86 -9.138 -25.037 -7.191 1.00 42.11 H new ATOM 0 HB2 PRO A 86 -8.087 -22.654 -6.226 1.00 62.10 H new ATOM 0 HB3 PRO A 86 -9.804 -22.814 -6.536 1.00 62.10 H new ATOM 0 HG2 PRO A 86 -8.323 -23.039 -3.922 1.00 71.04 H new ATOM 0 HG3 PRO A 86 -9.837 -22.226 -4.261 1.00 71.04 H new ATOM 0 HD2 PRO A 86 -9.771 -24.692 -3.109 1.00 32.24 H new ATOM 0 HD3 PRO A 86 -11.082 -24.212 -4.167 1.00 32.24 H new ATOM 1375 N ARG A 87 -6.719 -25.259 -7.343 1.00 62.33 N ATOM 1376 CA ARG A 87 -5.308 -25.614 -7.441 1.00 42.10 C ATOM 1377 C ARG A 87 -4.424 -24.474 -6.942 1.00 34.44 C ATOM 1378 O ARG A 87 -4.802 -23.304 -7.013 1.00 32.45 O ATOM 1379 CB ARG A 87 -4.945 -25.958 -8.887 1.00 11.40 C ATOM 1380 CG ARG A 87 -3.503 -26.403 -9.064 1.00 3.02 C ATOM 1381 CD ARG A 87 -3.304 -27.134 -10.382 1.00 24.31 C ATOM 1382 NE ARG A 87 -1.891 -27.263 -10.729 1.00 13.15 N ATOM 1383 CZ ARG A 87 -1.449 -27.978 -11.758 1.00 42.42 C ATOM 1384 NH1 ARG A 87 -2.305 -28.623 -12.538 1.00 2.41 N ATOM 1385 NH2 ARG A 87 -0.148 -28.046 -12.009 1.00 44.23 N ATOM 0 H ARG A 87 -7.193 -25.163 -8.241 1.00 62.33 H new ATOM 0 HA ARG A 87 -5.135 -26.487 -6.812 1.00 42.10 H new ATOM 0 HB2 ARG A 87 -5.606 -26.749 -9.240 1.00 11.40 H new ATOM 0 HB3 ARG A 87 -5.127 -25.086 -9.515 1.00 11.40 H new ATOM 0 HG2 ARG A 87 -2.846 -25.534 -9.025 1.00 3.02 H new ATOM 0 HG3 ARG A 87 -3.218 -27.055 -8.238 1.00 3.02 H new ATOM 0 HD2 ARG A 87 -3.753 -28.125 -10.318 1.00 24.31 H new ATOM 0 HD3 ARG A 87 -3.825 -26.598 -11.176 1.00 24.31 H new ATOM 0 HE ARG A 87 -1.206 -26.778 -10.150 1.00 13.15 H new ATOM 0 HH11 ARG A 87 -3.306 -28.571 -12.349 1.00 2.41 H new ATOM 0 HH12 ARG A 87 -1.963 -29.171 -13.327 1.00 2.41 H new ATOM 0 HH21 ARG A 87 0.513 -27.549 -11.412 1.00 44.23 H new ATOM 0 HH22 ARG A 87 0.191 -28.595 -12.799 1.00 44.23 H new ATOM 1399 N THR A 88 -3.246 -24.825 -6.435 1.00 10.22 N ATOM 1400 CA THR A 88 -2.310 -23.832 -5.921 1.00 61.34 C ATOM 1401 C THR A 88 -0.871 -24.211 -6.253 1.00 62.00 C ATOM 1402 O THR A 88 -0.518 -25.391 -6.269 1.00 33.41 O ATOM 1403 CB THR A 88 -2.448 -23.667 -4.396 1.00 23.31 C ATOM 1404 OG1 THR A 88 -1.476 -22.729 -3.916 1.00 74.31 O ATOM 1405 CG2 THR A 88 -2.266 -25.001 -3.689 1.00 23.23 C ATOM 0 H THR A 88 -2.918 -25.788 -6.369 1.00 10.22 H new ATOM 0 HA THR A 88 -2.554 -22.886 -6.404 1.00 61.34 H new ATOM 0 HB THR A 88 -3.450 -23.294 -4.181 1.00 23.31 H new ATOM 0 HG1 THR A 88 -1.571 -22.628 -2.946 1.00 74.31 H new ATOM 0 HG21 THR A 88 -2.368 -24.859 -2.613 1.00 23.23 H new ATOM 0 HG22 THR A 88 -3.024 -25.703 -4.036 1.00 23.23 H new ATOM 0 HG23 THR A 88 -1.275 -25.398 -3.911 1.00 23.23 H new ATOM 1413 N ILE A 89 -0.044 -23.205 -6.515 1.00 40.20 N ATOM 1414 CA ILE A 89 1.357 -23.433 -6.844 1.00 20.11 C ATOM 1415 C ILE A 89 1.496 -24.175 -8.169 1.00 63.40 C ATOM 1416 O ILE A 89 0.630 -24.964 -8.545 1.00 52.34 O ATOM 1417 CB ILE A 89 2.070 -24.238 -5.741 1.00 22.03 C ATOM 1418 CG1 ILE A 89 1.745 -23.654 -4.363 1.00 64.54 C ATOM 1419 CG2 ILE A 89 3.573 -24.245 -5.978 1.00 51.41 C ATOM 1420 CD1 ILE A 89 2.389 -24.408 -3.221 1.00 61.23 C ATOM 0 H ILE A 89 -0.320 -22.223 -6.506 1.00 40.20 H new ATOM 0 HA ILE A 89 1.826 -22.452 -6.928 1.00 20.11 H new ATOM 0 HB ILE A 89 1.712 -25.267 -5.773 1.00 22.03 H new ATOM 0 HG12 ILE A 89 2.072 -22.615 -4.332 1.00 64.54 H new ATOM 0 HG13 ILE A 89 0.664 -23.653 -4.223 1.00 64.54 H new ATOM 0 HG21 ILE A 89 4.063 -24.818 -5.190 1.00 51.41 H new ATOM 0 HG22 ILE A 89 3.787 -24.701 -6.945 1.00 51.41 H new ATOM 0 HG23 ILE A 89 3.948 -23.221 -5.969 1.00 51.41 H new ATOM 0 HD11 ILE A 89 2.116 -23.939 -2.276 1.00 61.23 H new ATOM 0 HD12 ILE A 89 2.043 -25.442 -3.227 1.00 61.23 H new ATOM 0 HD13 ILE A 89 3.473 -24.387 -3.336 1.00 61.23 H new ATOM 1432 N VAL A 90 2.595 -23.918 -8.871 1.00 70.24 N ATOM 1433 CA VAL A 90 2.851 -24.563 -10.153 1.00 74.45 C ATOM 1434 C VAL A 90 4.311 -24.986 -10.275 1.00 72.13 C ATOM 1435 O VAL A 90 5.199 -24.435 -9.624 1.00 33.50 O ATOM 1436 CB VAL A 90 2.498 -23.635 -11.331 1.00 11.43 C ATOM 1437 CG1 VAL A 90 0.993 -23.597 -11.548 1.00 42.24 C ATOM 1438 CG2 VAL A 90 3.045 -22.236 -11.087 1.00 13.24 C ATOM 0 H VAL A 90 3.322 -23.268 -8.573 1.00 70.24 H new ATOM 0 HA VAL A 90 2.214 -25.447 -10.193 1.00 74.45 H new ATOM 0 HB VAL A 90 2.961 -24.030 -12.235 1.00 11.43 H new ATOM 0 HG11 VAL A 90 0.762 -22.937 -12.384 1.00 42.24 H new ATOM 0 HG12 VAL A 90 0.632 -24.601 -11.769 1.00 42.24 H new ATOM 0 HG13 VAL A 90 0.505 -23.226 -10.647 1.00 42.24 H new ATOM 0 HG21 VAL A 90 2.787 -21.593 -11.928 1.00 13.24 H new ATOM 0 HG22 VAL A 90 2.611 -21.830 -10.173 1.00 13.24 H new ATOM 0 HG23 VAL A 90 4.129 -22.282 -10.984 1.00 13.24 H new ATOM 1448 N PRO A 91 4.568 -25.989 -11.129 1.00 3.31 N ATOM 1449 CA PRO A 91 5.920 -26.507 -11.356 1.00 71.04 C ATOM 1450 C PRO A 91 6.804 -25.514 -12.103 1.00 3.01 C ATOM 1451 O PRO A 91 6.310 -24.577 -12.731 1.00 22.13 O ATOM 1452 CB PRO A 91 5.681 -27.756 -12.209 1.00 21.12 C ATOM 1453 CG PRO A 91 4.385 -27.504 -12.897 1.00 55.44 C ATOM 1454 CD PRO A 91 3.558 -26.692 -11.938 1.00 25.50 C ATOM 0 HA PRO A 91 6.443 -26.705 -10.421 1.00 71.04 H new ATOM 0 HB2 PRO A 91 6.488 -27.905 -12.927 1.00 21.12 H new ATOM 0 HB3 PRO A 91 5.633 -28.653 -11.592 1.00 21.12 H new ATOM 0 HG2 PRO A 91 4.538 -26.966 -13.833 1.00 55.44 H new ATOM 0 HG3 PRO A 91 3.887 -28.441 -13.146 1.00 55.44 H new ATOM 0 HD2 PRO A 91 2.905 -25.994 -12.462 1.00 25.50 H new ATOM 0 HD3 PRO A 91 2.919 -27.325 -11.322 1.00 25.50 H new ATOM 1462 N LYS A 92 8.114 -25.724 -12.031 1.00 33.11 N ATOM 1463 CA LYS A 92 9.068 -24.849 -12.701 1.00 20.22 C ATOM 1464 C LYS A 92 10.237 -25.650 -13.267 1.00 51.33 C ATOM 1465 O LYS A 92 10.951 -26.329 -12.529 1.00 53.43 O ATOM 1466 CB LYS A 92 9.587 -23.787 -11.729 1.00 41.24 C ATOM 1467 CG LYS A 92 10.082 -22.525 -12.414 1.00 61.12 C ATOM 1468 CD LYS A 92 10.411 -21.436 -11.408 1.00 12.12 C ATOM 1469 CE LYS A 92 11.002 -20.210 -12.086 1.00 52.32 C ATOM 1470 NZ LYS A 92 10.716 -18.962 -11.324 1.00 63.03 N ATOM 0 H LYS A 92 8.539 -26.494 -11.515 1.00 33.11 H new ATOM 0 HA LYS A 92 8.554 -24.357 -13.527 1.00 20.22 H new ATOM 0 HB2 LYS A 92 8.791 -23.524 -11.033 1.00 41.24 H new ATOM 0 HB3 LYS A 92 10.399 -24.212 -11.139 1.00 41.24 H new ATOM 0 HG2 LYS A 92 10.968 -22.755 -13.005 1.00 61.12 H new ATOM 0 HG3 LYS A 92 9.322 -22.164 -13.107 1.00 61.12 H new ATOM 0 HD2 LYS A 92 9.508 -21.154 -10.867 1.00 12.12 H new ATOM 0 HD3 LYS A 92 11.116 -21.821 -10.671 1.00 12.12 H new ATOM 0 HE2 LYS A 92 12.080 -20.335 -12.187 1.00 52.32 H new ATOM 0 HE3 LYS A 92 10.596 -20.121 -13.094 1.00 52.32 H new ATOM 0 HZ1 LYS A 92 11.136 -18.149 -11.819 1.00 63.03 H new ATOM 0 HZ2 LYS A 92 9.687 -18.829 -11.250 1.00 63.03 H new ATOM 0 HZ3 LYS A 92 11.125 -19.036 -10.371 1.00 63.03 H new ATOM 1484 N SER A 93 10.426 -25.563 -14.579 1.00 62.24 N ATOM 1485 CA SER A 93 11.508 -26.282 -15.244 1.00 52.10 C ATOM 1486 C SER A 93 11.713 -25.763 -16.664 1.00 33.04 C ATOM 1487 O SER A 93 10.803 -25.813 -17.493 1.00 31.05 O ATOM 1488 CB SER A 93 11.208 -27.781 -15.276 1.00 31.33 C ATOM 1489 OG SER A 93 9.971 -28.042 -15.917 1.00 64.22 O ATOM 0 H SER A 93 9.845 -25.003 -15.203 1.00 62.24 H new ATOM 0 HA SER A 93 12.424 -26.114 -14.678 1.00 52.10 H new ATOM 0 HB2 SER A 93 12.009 -28.304 -15.799 1.00 31.33 H new ATOM 0 HB3 SER A 93 11.183 -28.171 -14.259 1.00 31.33 H new ATOM 0 HG SER A 93 9.851 -27.417 -16.663 1.00 64.22 H new ATOM 1495 N TYR A 94 12.913 -25.264 -16.937 1.00 63.24 N ATOM 1496 CA TYR A 94 13.238 -24.733 -18.256 1.00 50.13 C ATOM 1497 C TYR A 94 14.741 -24.515 -18.401 1.00 13.33 C ATOM 1498 O TYR A 94 15.358 -23.818 -17.596 1.00 10.34 O ATOM 1499 CB TYR A 94 12.496 -23.418 -18.496 1.00 54.21 C ATOM 1500 CG TYR A 94 12.839 -22.337 -17.497 1.00 11.32 C ATOM 1501 CD1 TYR A 94 12.242 -22.308 -16.242 1.00 40.42 C ATOM 1502 CD2 TYR A 94 13.762 -21.345 -17.806 1.00 24.32 C ATOM 1503 CE1 TYR A 94 12.553 -21.321 -15.327 1.00 10.04 C ATOM 1504 CE2 TYR A 94 14.080 -20.356 -16.896 1.00 62.20 C ATOM 1505 CZ TYR A 94 13.473 -20.348 -15.658 1.00 15.42 C ATOM 1506 OH TYR A 94 13.786 -19.364 -14.747 1.00 72.02 O ATOM 0 H TYR A 94 13.677 -25.216 -16.263 1.00 63.24 H new ATOM 0 HA TYR A 94 12.922 -25.463 -19.001 1.00 50.13 H new ATOM 0 HB2 TYR A 94 12.725 -23.059 -19.499 1.00 54.21 H new ATOM 0 HB3 TYR A 94 11.423 -23.605 -18.462 1.00 54.21 H new ATOM 0 HD1 TYR A 94 11.523 -23.070 -15.978 1.00 40.42 H new ATOM 0 HD2 TYR A 94 14.239 -21.348 -18.775 1.00 24.32 H new ATOM 0 HE1 TYR A 94 12.078 -21.311 -14.357 1.00 10.04 H new ATOM 0 HE2 TYR A 94 14.800 -19.593 -17.153 1.00 62.20 H new ATOM 0 HH TYR A 94 14.451 -18.758 -15.136 1.00 72.02 H new ATOM 1516 N ALA A 95 15.323 -25.117 -19.433 1.00 13.35 N ATOM 1517 CA ALA A 95 16.753 -24.987 -19.686 1.00 31.05 C ATOM 1518 C ALA A 95 17.065 -23.683 -20.411 1.00 63.44 C ATOM 1519 O ALA A 95 16.176 -23.047 -20.976 1.00 14.34 O ATOM 1520 CB ALA A 95 17.256 -26.176 -20.491 1.00 30.23 C ATOM 0 H ALA A 95 14.826 -25.699 -20.107 1.00 13.35 H new ATOM 0 HA ALA A 95 17.268 -24.969 -18.725 1.00 31.05 H new ATOM 0 HB1 ALA A 95 18.325 -26.066 -20.673 1.00 30.23 H new ATOM 0 HB2 ALA A 95 17.075 -27.095 -19.934 1.00 30.23 H new ATOM 0 HB3 ALA A 95 16.729 -26.220 -21.444 1.00 30.23 H new ATOM 1526 N ASP A 96 18.335 -23.292 -20.393 1.00 62.34 N ATOM 1527 CA ASP A 96 18.765 -22.063 -21.051 1.00 24.33 C ATOM 1528 C ASP A 96 20.265 -22.093 -21.329 1.00 52.21 C ATOM 1529 O ASP A 96 21.078 -21.970 -20.414 1.00 24.01 O ATOM 1530 CB ASP A 96 18.418 -20.849 -20.187 1.00 65.04 C ATOM 1531 CG ASP A 96 16.970 -20.426 -20.341 1.00 24.22 C ATOM 1532 OD1 ASP A 96 16.461 -20.457 -21.480 1.00 12.33 O ATOM 1533 OD2 ASP A 96 16.348 -20.061 -19.320 1.00 75.44 O ATOM 0 H ASP A 96 19.084 -23.808 -19.931 1.00 62.34 H new ATOM 0 HA ASP A 96 18.238 -21.985 -22.002 1.00 24.33 H new ATOM 0 HB2 ASP A 96 18.616 -21.082 -19.141 1.00 65.04 H new ATOM 0 HB3 ASP A 96 19.068 -20.016 -20.457 1.00 65.04 H new ATOM 1538 N ASN A 97 20.623 -22.258 -22.598 1.00 63.35 N ATOM 1539 CA ASN A 97 22.025 -22.305 -22.997 1.00 73.11 C ATOM 1540 C ASN A 97 22.316 -21.278 -24.087 1.00 11.13 C ATOM 1541 O ASN A 97 21.421 -20.561 -24.534 1.00 53.13 O ATOM 1542 CB ASN A 97 22.389 -23.707 -23.492 1.00 10.55 C ATOM 1543 CG ASN A 97 22.829 -24.621 -22.364 1.00 45.21 C ATOM 1544 OD1 ASN A 97 22.043 -25.422 -21.856 1.00 4.40 O ATOM 1545 ND2 ASN A 97 24.091 -24.506 -21.967 1.00 25.04 N ATOM 0 H ASN A 97 19.962 -22.361 -23.368 1.00 63.35 H new ATOM 0 HA ASN A 97 22.633 -22.065 -22.125 1.00 73.11 H new ATOM 0 HB2 ASN A 97 21.529 -24.146 -23.997 1.00 10.55 H new ATOM 0 HB3 ASN A 97 23.188 -23.633 -24.229 1.00 10.55 H new ATOM 0 HD21 ASN A 97 24.444 -25.095 -21.213 1.00 25.04 H new ATOM 0 HD22 ASN A 97 24.707 -23.829 -22.416 1.00 25.04 H new ATOM 1552 N PHE A 98 23.573 -21.214 -24.511 1.00 5.52 N ATOM 1553 CA PHE A 98 23.983 -20.274 -25.549 1.00 21.23 C ATOM 1554 C PHE A 98 25.150 -20.832 -26.358 1.00 72.40 C ATOM 1555 O PHE A 98 26.176 -21.225 -25.802 1.00 22.32 O ATOM 1556 CB PHE A 98 24.375 -18.933 -24.926 1.00 5.33 C ATOM 1557 CG PHE A 98 25.432 -19.051 -23.864 1.00 53.10 C ATOM 1558 CD1 PHE A 98 25.090 -19.388 -22.564 1.00 50.21 C ATOM 1559 CD2 PHE A 98 26.765 -18.826 -24.166 1.00 41.33 C ATOM 1560 CE1 PHE A 98 26.060 -19.496 -21.585 1.00 55.11 C ATOM 1561 CE2 PHE A 98 27.739 -18.933 -23.191 1.00 40.03 C ATOM 1562 CZ PHE A 98 27.385 -19.270 -21.899 1.00 3.41 C ATOM 0 H PHE A 98 24.326 -21.801 -24.153 1.00 5.52 H new ATOM 0 HA PHE A 98 23.138 -20.122 -26.221 1.00 21.23 H new ATOM 0 HB2 PHE A 98 24.733 -18.267 -25.711 1.00 5.33 H new ATOM 0 HB3 PHE A 98 23.488 -18.469 -24.495 1.00 5.33 H new ATOM 0 HD1 PHE A 98 24.055 -19.568 -22.313 1.00 50.21 H new ATOM 0 HD2 PHE A 98 27.047 -18.564 -25.175 1.00 41.33 H new ATOM 0 HE1 PHE A 98 25.781 -19.757 -20.575 1.00 55.11 H new ATOM 0 HE2 PHE A 98 28.775 -18.753 -23.439 1.00 40.03 H new ATOM 0 HZ PHE A 98 28.144 -19.357 -21.136 1.00 3.41 H new ATOM 1572 N THR A 99 24.985 -20.866 -27.677 1.00 70.42 N ATOM 1573 CA THR A 99 26.022 -21.378 -28.564 1.00 3.33 C ATOM 1574 C THR A 99 26.348 -20.376 -29.665 1.00 1.52 C ATOM 1575 O THR A 99 25.802 -20.447 -30.766 1.00 63.02 O ATOM 1576 CB THR A 99 25.602 -22.712 -29.209 1.00 73.40 C ATOM 1577 OG1 THR A 99 24.811 -23.473 -28.289 1.00 12.21 O ATOM 1578 CG2 THR A 99 26.822 -23.520 -29.624 1.00 20.40 C ATOM 0 H THR A 99 24.143 -20.545 -28.154 1.00 70.42 H new ATOM 0 HA THR A 99 26.908 -21.542 -27.951 1.00 3.33 H new ATOM 0 HB THR A 99 25.012 -22.490 -30.099 1.00 73.40 H new ATOM 0 HG1 THR A 99 24.546 -24.319 -28.707 1.00 12.21 H new ATOM 0 HG21 THR A 99 26.500 -24.458 -30.077 1.00 20.40 H new ATOM 0 HG22 THR A 99 27.407 -22.950 -30.346 1.00 20.40 H new ATOM 0 HG23 THR A 99 27.434 -23.732 -28.747 1.00 20.40 H new ATOM 1586 N LYS A 100 27.241 -19.440 -29.361 1.00 70.03 N ATOM 1587 CA LYS A 100 27.642 -18.422 -30.325 1.00 63.53 C ATOM 1588 C LYS A 100 29.162 -18.319 -30.407 1.00 15.22 C ATOM 1589 O LYS A 100 29.768 -17.351 -29.946 1.00 43.11 O ATOM 1590 CB LYS A 100 27.048 -17.065 -29.943 1.00 40.21 C ATOM 1591 CG LYS A 100 27.157 -16.022 -31.041 1.00 65.21 C ATOM 1592 CD LYS A 100 27.217 -14.614 -30.470 1.00 71.30 C ATOM 1593 CE LYS A 100 25.853 -14.153 -29.982 1.00 42.32 C ATOM 1594 NZ LYS A 100 25.796 -12.674 -29.813 1.00 2.22 N ATOM 0 H LYS A 100 27.701 -19.365 -28.454 1.00 70.03 H new ATOM 0 HA LYS A 100 27.262 -18.715 -31.304 1.00 63.53 H new ATOM 0 HB2 LYS A 100 25.998 -17.198 -29.683 1.00 40.21 H new ATOM 0 HB3 LYS A 100 27.553 -16.695 -29.051 1.00 40.21 H new ATOM 0 HG2 LYS A 100 28.050 -16.212 -31.637 1.00 65.21 H new ATOM 0 HG3 LYS A 100 26.302 -16.107 -31.711 1.00 65.21 H new ATOM 0 HD2 LYS A 100 27.929 -14.585 -29.645 1.00 71.30 H new ATOM 0 HD3 LYS A 100 27.584 -13.926 -31.232 1.00 71.30 H new ATOM 0 HE2 LYS A 100 25.088 -14.467 -30.692 1.00 42.32 H new ATOM 0 HE3 LYS A 100 25.624 -14.636 -29.032 1.00 42.32 H new ATOM 0 HZ1 LYS A 100 24.850 -12.399 -29.479 1.00 2.22 H new ATOM 0 HZ2 LYS A 100 26.509 -12.376 -29.117 1.00 2.22 H new ATOM 0 HZ3 LYS A 100 25.989 -12.213 -30.725 1.00 2.22 H new ATOM 1608 N PRO A 101 29.794 -19.337 -31.009 1.00 52.32 N ATOM 1609 CA PRO A 101 31.251 -19.383 -31.167 1.00 14.33 C ATOM 1610 C PRO A 101 31.757 -18.349 -32.167 1.00 25.15 C ATOM 1611 O PRO A 101 30.970 -17.666 -32.822 1.00 22.43 O ATOM 1612 CB PRO A 101 31.507 -20.799 -31.685 1.00 63.34 C ATOM 1613 CG PRO A 101 30.237 -21.193 -32.356 1.00 33.15 C ATOM 1614 CD PRO A 101 29.135 -20.523 -31.581 1.00 71.35 C ATOM 0 HA PRO A 101 31.770 -19.156 -30.236 1.00 14.33 H new ATOM 0 HB2 PRO A 101 32.345 -20.820 -32.381 1.00 63.34 H new ATOM 0 HB3 PRO A 101 31.752 -21.480 -30.870 1.00 63.34 H new ATOM 0 HG2 PRO A 101 30.231 -20.874 -33.398 1.00 33.15 H new ATOM 0 HG3 PRO A 101 30.114 -22.276 -32.353 1.00 33.15 H new ATOM 0 HD2 PRO A 101 28.300 -20.247 -32.226 1.00 71.35 H new ATOM 0 HD3 PRO A 101 28.736 -21.175 -30.804 1.00 71.35 H new ATOM 1622 N ARG A 102 33.078 -18.238 -32.278 1.00 13.13 N ATOM 1623 CA ARG A 102 33.689 -17.286 -33.198 1.00 32.50 C ATOM 1624 C ARG A 102 34.711 -17.978 -34.096 1.00 33.21 C ATOM 1625 O ARG A 102 35.236 -19.039 -33.754 1.00 41.54 O ATOM 1626 CB ARG A 102 34.362 -16.154 -32.420 1.00 63.13 C ATOM 1627 CG ARG A 102 35.501 -16.620 -31.528 1.00 65.15 C ATOM 1628 CD ARG A 102 35.017 -16.923 -30.119 1.00 4.23 C ATOM 1629 NE ARG A 102 34.651 -15.710 -29.393 1.00 44.11 N ATOM 1630 CZ ARG A 102 35.538 -14.886 -28.846 1.00 40.31 C ATOM 1631 NH1 ARG A 102 36.835 -15.143 -28.941 1.00 51.32 N ATOM 1632 NH2 ARG A 102 35.127 -13.801 -28.201 1.00 31.52 N ATOM 0 H ARG A 102 33.744 -18.795 -31.743 1.00 13.13 H new ATOM 0 HA ARG A 102 32.902 -16.869 -33.826 1.00 32.50 H new ATOM 0 HB2 ARG A 102 34.743 -15.416 -33.126 1.00 63.13 H new ATOM 0 HB3 ARG A 102 33.614 -15.651 -31.807 1.00 63.13 H new ATOM 0 HG2 ARG A 102 35.958 -17.512 -31.956 1.00 65.15 H new ATOM 0 HG3 ARG A 102 36.273 -15.852 -31.491 1.00 65.15 H new ATOM 0 HD2 ARG A 102 34.156 -17.590 -30.167 1.00 4.23 H new ATOM 0 HD3 ARG A 102 35.799 -17.450 -29.573 1.00 4.23 H new ATOM 0 HE ARG A 102 33.661 -15.483 -29.301 1.00 44.11 H new ATOM 0 HH11 ARG A 102 37.155 -15.976 -29.435 1.00 51.32 H new ATOM 0 HH12 ARG A 102 37.513 -14.508 -28.520 1.00 51.32 H new ATOM 0 HH21 ARG A 102 34.130 -13.600 -28.125 1.00 31.52 H new ATOM 0 HH22 ARG A 102 35.808 -13.169 -27.781 1.00 31.52 H new ATOM 1646 N ASP A 103 34.988 -17.372 -35.245 1.00 34.22 N ATOM 1647 CA ASP A 103 35.946 -17.929 -36.192 1.00 25.20 C ATOM 1648 C ASP A 103 36.596 -16.824 -37.020 1.00 72.42 C ATOM 1649 O ASP A 103 36.154 -15.677 -36.997 1.00 13.22 O ATOM 1650 CB ASP A 103 35.259 -18.937 -37.113 1.00 72.42 C ATOM 1651 CG ASP A 103 36.237 -19.913 -37.738 1.00 21.10 C ATOM 1652 OD1 ASP A 103 36.810 -20.736 -36.994 1.00 31.12 O ATOM 1653 OD2 ASP A 103 36.431 -19.851 -38.970 1.00 65.01 O ATOM 0 H ASP A 103 34.562 -16.494 -35.543 1.00 34.22 H new ATOM 0 HA ASP A 103 36.725 -18.440 -35.625 1.00 25.20 H new ATOM 0 HB2 ASP A 103 34.510 -19.491 -36.546 1.00 72.42 H new ATOM 0 HB3 ASP A 103 34.730 -18.402 -37.902 1.00 72.42 H new ATOM 1658 N MET A 104 37.648 -17.181 -37.751 1.00 14.12 N ATOM 1659 CA MET A 104 38.358 -16.220 -38.587 1.00 13.45 C ATOM 1660 C MET A 104 37.411 -15.567 -39.589 1.00 3.05 C ATOM 1661 O MET A 104 37.592 -14.409 -39.965 1.00 41.23 O ATOM 1662 CB MET A 104 39.508 -16.906 -39.325 1.00 63.11 C ATOM 1663 CG MET A 104 40.615 -15.953 -39.746 1.00 1.03 C ATOM 1664 SD MET A 104 41.960 -16.788 -40.608 1.00 60.13 S ATOM 1665 CE MET A 104 42.995 -17.275 -39.230 1.00 61.12 C ATOM 0 H MET A 104 38.027 -18.128 -37.781 1.00 14.12 H new ATOM 0 HA MET A 104 38.764 -15.443 -37.940 1.00 13.45 H new ATOM 0 HB2 MET A 104 39.930 -17.680 -38.684 1.00 63.11 H new ATOM 0 HB3 MET A 104 39.114 -17.406 -40.210 1.00 63.11 H new ATOM 0 HG2 MET A 104 40.198 -15.181 -40.393 1.00 1.03 H new ATOM 0 HG3 MET A 104 41.011 -15.450 -38.864 1.00 1.03 H new ATOM 0 HE1 MET A 104 43.872 -17.805 -39.603 1.00 61.12 H new ATOM 0 HE2 MET A 104 43.313 -16.388 -38.682 1.00 61.12 H new ATOM 0 HE3 MET A 104 42.431 -17.929 -38.565 1.00 61.12 H new TER 1675 MET A 104